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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/JEV5-916233de/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV5-916233de/inputs/seq.fa: 1
curr_seq: _UGGUGGGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGGGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
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: 1
Temperature: 1.050000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -85.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936181 (E_RNA)
where:
Base-Base interactions energy: -0.369
where: short stacking energy: -0.369
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -171.394749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394749 (E_RNA)
where:
Base-Base interactions energy: -94.701
where: short stacking energy: -52.838
Base-Backbone interact. energy: 0.091
local terms energy: -76.785306
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -7.968
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -136.181638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.181638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.181638 (E_RNA)
where:
Base-Base interactions energy: -58.470
where: short stacking energy: -58.328
Base-Backbone interact. energy: -0.004
local terms energy: -77.708110
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -12.991
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -141.428084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.428084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.428084 (E_RNA)
where:
Base-Base interactions energy: -70.747
where: short stacking energy: -60.177
Base-Backbone interact. energy: -1.442
local terms energy: -69.239210
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -11.646
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -114.932233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.932233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.932233 (E_RNA)
where:
Base-Base interactions energy: -50.649
where: short stacking energy: -39.967
Base-Backbone interact. energy: -0.467
local terms energy: -63.816215
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -4.789
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -140.494591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.494591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.494591 (E_RNA)
where:
Base-Base interactions energy: -79.692
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.642
local terms energy: -60.160894
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -107.524321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.524321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.524321 (E_RNA)
where:
Base-Base interactions energy: -53.424
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.049
local terms energy: -54.050824
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -0.657
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -89.564212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.564212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.564212 (E_RNA)
where:
Base-Base interactions energy: -35.789
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.226
local terms energy: -53.549894
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -98.289512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.289512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.289512 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -36.738
Base-Backbone interact. energy: 1.743
local terms energy: -62.450113
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -91.235951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235951 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -32.431
Base-Backbone interact. energy: -0.298
local terms energy: -53.607018
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.579
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -87.302149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.302149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.302149 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -34.069
Base-Backbone interact. energy: -0.408
local terms energy: -52.570722
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -185.507968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.507968 (E_RNA)
where:
Base-Base interactions energy: -108.662
where: short stacking energy: -67.252
Base-Backbone interact. energy: -0.071
local terms energy: -76.775439
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -16.261
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -150.179040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.179040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.179040 (E_RNA)
where:
Base-Base interactions energy: -76.608
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.707
local terms energy: -72.864487
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -123.526770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.526770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.526770 (E_RNA)
where:
Base-Base interactions energy: -56.759
where: short stacking energy: -44.172
Base-Backbone interact. energy: 0.845
local terms energy: -67.612977
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -167.707498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.707498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.707498 (E_RNA)
where:
Base-Base interactions energy: -98.449
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.189
local terms energy: -69.069289
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -12.947
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -156.054875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.054875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.054875 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.074
local terms energy: -62.765283
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -124.826670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.826670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.826670 (E_RNA)
where:
Base-Base interactions energy: -61.292
where: short stacking energy: -42.696
Base-Backbone interact. energy: -0.117
local terms energy: -63.417928
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -13.901
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -96.663576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.663576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.663576 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.065
local terms energy: -61.923442
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -110.553279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553279 (E_RNA)
where:
Base-Base interactions energy: -49.374
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.134
local terms energy: -61.044839
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -90.296089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296089 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.152
local terms energy: -52.348865
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -4.705
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -79.610198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.610198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.610198 (E_RNA)
where:
Base-Base interactions energy: -39.319
where: short stacking energy: -39.319
Base-Backbone interact. energy: -0.155
local terms energy: -40.136205
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -191.062581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.062581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.062581 (E_RNA)
where:
Base-Base interactions energy: -104.646
where: short stacking energy: -77.076
Base-Backbone interact. energy: -0.000
local terms energy: -86.415935
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -151.237041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.237041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.237041 (E_RNA)
where:
Base-Base interactions energy: -81.038
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.602
local terms energy: -69.596833
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -197.295082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.295082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.295082 (E_RNA)
where:
Base-Base interactions energy: -114.474
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.087
local terms energy: -82.733960
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -17.878
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -160.530932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.530932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.530932 (E_RNA)
where:
Base-Base interactions energy: -94.287
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.168
local terms energy: -66.075115
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -195.637203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.637203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.637203 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -64.806
Base-Backbone interact. energy: -0.343
local terms energy: -80.425166
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -132.655309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.655309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.655309 (E_RNA)
where:
Base-Base interactions energy: -67.628
where: short stacking energy: -46.345
Base-Backbone interact. energy: -1.750
local terms energy: -63.276912
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.430
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -99.316152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.316152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.316152 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.396
local terms energy: -66.141768
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -99.751127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.751127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.751127 (E_RNA)
where:
Base-Base interactions energy: -45.199
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.297
local terms energy: -54.255331
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -107.085204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085204 (E_RNA)
where:
Base-Base interactions energy: -47.577
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.074
local terms energy: -59.434430
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -9.668
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -85.260393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.260393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.260393 (E_RNA)
where:
Base-Base interactions energy: -28.723
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.179
local terms energy: -56.358981
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -184.775293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.775293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.775293 (E_RNA)
where:
Base-Base interactions energy: -107.612
where: short stacking energy: -78.468
Base-Backbone interact. energy: -0.157
local terms energy: -77.005390
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -191.097665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.097665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.097665 (E_RNA)
where:
Base-Base interactions energy: -113.790
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.083
local terms energy: -77.224355
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -137.416344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.416344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.416344 (E_RNA)
where:
Base-Base interactions energy: -58.324
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.062
local terms energy: -79.029988
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -16.045
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -190.352730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.352730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.352730 (E_RNA)
where:
Base-Base interactions energy: -117.713
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.036
local terms energy: -72.603150
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -175.303790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.303790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.303790 (E_RNA)
where:
Base-Base interactions energy: -106.027
where: short stacking energy: -57.788
Base-Backbone interact. energy: -1.215
local terms energy: -68.061597
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -165.563122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.563122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.563122 (E_RNA)
where:
Base-Base interactions energy: -97.765
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.084
local terms energy: -67.713899
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -119.605223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.605223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.605223 (E_RNA)
where:
Base-Base interactions energy: -66.698
where: short stacking energy: -43.874
Base-Backbone interact. energy: 0.367
local terms energy: -53.273501
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -7.724
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -99.958603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.958603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.958603 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.735
local terms energy: -55.542973
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -2.643
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -92.169361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.169361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.169361 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.167
local terms energy: -51.448168
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -85.160585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160585 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.075
local terms energy: -55.259378
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -206.148377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.148377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148377 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.002
local terms energy: -70.839531
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -17.490
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -178.735860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735860 (E_RNA)
where:
Base-Base interactions energy: -102.364
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.115
local terms energy: -76.257155
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -192.078252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078252 (E_RNA)
where:
Base-Base interactions energy: -125.579
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.084
local terms energy: -66.414816
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -12.362
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: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -129.748663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.748663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.748663 (E_RNA)
where:
Base-Base interactions energy: -55.623
where: short stacking energy: -48.914
Base-Backbone interact. energy: 0.200
local terms energy: -74.326529
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -9.503
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -182.344561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.344561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.344561 (E_RNA)
where:
Base-Base interactions energy: -117.718
where: short stacking energy: -58.909
Base-Backbone interact. energy: -1.478
local terms energy: -63.147920
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -164.155068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.155068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.155068 (E_RNA)
where:
Base-Base interactions energy: -94.079
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.128
local terms energy: -69.948427
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -101.799287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.799287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.799287 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.303
local terms energy: -60.732423
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -8.299
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: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -102.179169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.179169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.179169 (E_RNA)
where:
Base-Base interactions energy: -50.985
where: short stacking energy: -43.590
Base-Backbone interact. energy: 0.397
local terms energy: -51.591284
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -102.756340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.756340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.756340 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.206
local terms energy: -66.165962
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -12.095
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: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -87.680348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.680348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.680348 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.072
local terms energy: -50.649044
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -214.956779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956779 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -77.620
Base-Backbone interact. energy: -1.237
local terms energy: -79.801886
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -217.351964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.351964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.351964 (E_RNA)
where:
Base-Base interactions energy: -132.092
where: short stacking energy: -76.768
Base-Backbone interact. energy: -0.001
local terms energy: -85.259047
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -188.005669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.005669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.005669 (E_RNA)
where:
Base-Base interactions energy: -114.693
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.103
local terms energy: -73.209993
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -201.947487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.947487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.947487 (E_RNA)
where:
Base-Base interactions energy: -120.490
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.038
local terms energy: -81.418789
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -136.477042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.477042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.477042 (E_RNA)
where:
Base-Base interactions energy: -79.661
where: short stacking energy: -40.822
Base-Backbone interact. energy: 0.125
local terms energy: -56.941721
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -146.778116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.778116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.778116 (E_RNA)
where:
Base-Base interactions energy: -84.243
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.015
local terms energy: -62.520071
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -111.483614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.483614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.483614 (E_RNA)
where:
Base-Base interactions energy: -55.788
where: short stacking energy: -47.539
Base-Backbone interact. energy: -0.811
local terms energy: -54.884906
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -97.929948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.929948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.929948 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.191
local terms energy: -58.270524
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -83.535635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.535635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.535635 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.246
local terms energy: -47.211537
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -83.356288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356288 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -28.556
Base-Backbone interact. energy: -1.088
local terms energy: -53.041398
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -213.648306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.648306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.648306 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.137
local terms energy: -84.415715
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -209.162371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.162371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.162371 (E_RNA)
where:
Base-Base interactions energy: -128.615
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.564
local terms energy: -79.984148
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -185.519262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519262 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -55.584
Base-Backbone interact. energy: -0.053
local terms energy: -73.491379
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -10.777
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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -140.913497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.913497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.913497 (E_RNA)
where:
Base-Base interactions energy: -81.330
where: short stacking energy: -33.242
Base-Backbone interact. energy: 0.105
local terms energy: -59.688838
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: 0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -194.397211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.397211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397211 (E_RNA)
where:
Base-Base interactions energy: -117.525
where: short stacking energy: -58.551
Base-Backbone interact. energy: 0.721
local terms energy: -77.593859
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -107.371060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.371060 (E_RNA)
where:
Base-Base interactions energy: -55.084
where: short stacking energy: -26.156
Base-Backbone interact. energy: -0.368
local terms energy: -51.919023
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -95.518649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.518649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.518649 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -34.839
Base-Backbone interact. energy: 1.145
local terms energy: -57.399434
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -2.376
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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -97.969662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969662 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -41.692
Base-Backbone interact. energy: -0.216
local terms energy: -56.061241
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -96.111489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111489 (E_RNA)
where:
Base-Base interactions energy: -40.949
where: short stacking energy: -36.513
Base-Backbone interact. energy: 1.075
local terms energy: -56.237359
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -5.983
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: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -86.918497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918497 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.177
local terms energy: -52.919757
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -210.165373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.165373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.165373 (E_RNA)
where:
Base-Base interactions energy: -129.093
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.006
local terms energy: -81.066196
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.100
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: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -192.633396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.633396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.633396 (E_RNA)
where:
Base-Base interactions energy: -117.677
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.048
local terms energy: -74.908083
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -196.316229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.316229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.316229 (E_RNA)
where:
Base-Base interactions energy: -116.782
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.036
local terms energy: -79.497423
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -202.533769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.533769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.533769 (E_RNA)
where:
Base-Base interactions energy: -131.319
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.009
local terms energy: -71.206013
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.542
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: 9
Temperature: 1.100000
Total energy: -116.288043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.288043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.288043 (E_RNA)
where:
Base-Base interactions energy: -50.165
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.073
local terms energy: -66.050093
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -101.034046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.034046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.034046 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.319
local terms energy: -60.264059
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.499
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: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -111.289415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.289415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.289415 (E_RNA)
where:
Base-Base interactions energy: -51.290
where: short stacking energy: -46.314
Base-Backbone interact. energy: 0.067
local terms energy: -60.066973
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -3.275
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -102.261715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.261715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.261715 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.088
local terms energy: -65.405496
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -10.118
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -100.811517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811517 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -25.400
Base-Backbone interact. energy: 1.759
local terms energy: -57.060862
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -10.762
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -85.465688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465688 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.298
Base-Backbone interact. energy: 1.567
local terms energy: -55.735205
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -2.209
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: 10
Temperature: 0.900000
Total energy: -217.390425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.390425 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.003
local terms energy: -81.608157
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -214.546999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.546999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.546999 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.271
local terms energy: -74.829635
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -208.934606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.934606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.934606 (E_RNA)
where:
Base-Base interactions energy: -137.963
where: short stacking energy: -70.511
Base-Backbone interact. energy: 0.467
local terms energy: -71.438941
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -190.455099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.455099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.455099 (E_RNA)
where:
Base-Base interactions energy: -118.355
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.103
local terms energy: -71.997268
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.493
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: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -106.777544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.777544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.777544 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -45.522
Base-Backbone interact. energy: -0.174
local terms energy: -61.082029
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -105.682010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682010 (E_RNA)
where:
Base-Base interactions energy: -43.815
where: short stacking energy: -41.033
Base-Backbone interact. energy: -0.542
local terms energy: -61.325427
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -107.474695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.474695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.474695 (E_RNA)
where:
Base-Base interactions energy: -48.824
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.726
local terms energy: -57.923746
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -104.500841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.500841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.500841 (E_RNA)
where:
Base-Base interactions energy: -45.511
where: short stacking energy: -45.511
Base-Backbone interact. energy: -0.096
local terms energy: -58.894262
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -12.738
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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -94.842112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.842112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.842112 (E_RNA)
where:
Base-Base interactions energy: -40.505
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.097
local terms energy: -54.240603
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -2.312
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -91.668333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.668333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.668333 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.014
local terms energy: -55.612359
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -214.170216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.170216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.170216 (E_RNA)
where:
Base-Base interactions energy: -140.625
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.348
local terms energy: -73.197222
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -227.898361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.898361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.898361 (E_RNA)
where:
Base-Base interactions energy: -149.094
where: short stacking energy: -80.147
Base-Backbone interact. energy: 0.091
local terms energy: -78.895276
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -19.509
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -231.101572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.101572 (E_RNA)
where:
Base-Base interactions energy: -150.270
where: short stacking energy: -76.679
Base-Backbone interact. energy: -0.088
local terms energy: -80.743921
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.468
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: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -183.001408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.001408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.001408 (E_RNA)
where:
Base-Base interactions energy: -107.185
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.005
local terms energy: -75.811390
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -12.398
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: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -117.769631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.769631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.769631 (E_RNA)
where:
Base-Base interactions energy: -56.969
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.206
local terms energy: -60.594435
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -178.165917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.165917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.165917 (E_RNA)
where:
Base-Base interactions energy: -105.241
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.012
local terms energy: -72.912463
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -105.999888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999888 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -43.860
Base-Backbone interact. energy: -0.770
local terms energy: -53.631502
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -103.606037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606037 (E_RNA)
where:
Base-Base interactions energy: -44.582
where: short stacking energy: -32.058
Base-Backbone interact. energy: 1.428
local terms energy: -60.451587
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.727
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: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.308976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308976 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.267
local terms energy: -46.954004
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: 2.811
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: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -82.633339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.633339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.633339 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -24.786
Base-Backbone interact. energy: -0.189
local terms energy: -46.130905
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -1.248
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: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -230.964598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.964598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.964598 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.005
local terms energy: -79.469640
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -207.403464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.403464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.403464 (E_RNA)
where:
Base-Base interactions energy: -131.929
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.036
local terms energy: -75.438560
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -222.806006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.806006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.806006 (E_RNA)
where:
Base-Base interactions energy: -144.228
where: short stacking energy: -77.532
Base-Backbone interact. energy: -0.047
local terms energy: -78.530900
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -195.417073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.417073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.417073 (E_RNA)
where:
Base-Base interactions energy: -128.867
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.258
local terms energy: -66.291657
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -191.658246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.658246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.658246 (E_RNA)
where:
Base-Base interactions energy: -112.747
where: short stacking energy: -69.108
Base-Backbone interact. energy: -0.155
local terms energy: -78.756956
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -18.035
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -129.233643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.233643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.233643 (E_RNA)
where:
Base-Base interactions energy: -69.823
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.489
local terms energy: -58.921673
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.581
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -96.223776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.223776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.223776 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -33.091
Base-Backbone interact. energy: 0.136
local terms energy: -58.450082
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -4.296
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: 8, replica: 1
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -101.848121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.848121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.848121 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -33.187
Base-Backbone interact. energy: -0.012
local terms energy: -67.433380
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -8.281
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -84.534297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.534297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.534297 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.100
local terms energy: -49.606842
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -88.768662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768662 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -30.822
Base-Backbone interact. energy: 0.121
local terms energy: -58.067207
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -232.821255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.821255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.821255 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -71.187
Base-Backbone interact. energy: -0.020
local terms energy: -82.990777
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -235.981295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.981295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.981295 (E_RNA)
where:
Base-Base interactions energy: -156.777
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.053
local terms energy: -79.151025
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -202.923464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.923464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923464 (E_RNA)
where:
Base-Base interactions energy: -131.025
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.165
local terms energy: -71.733377
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -14.638
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: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -200.621685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621685 (E_RNA)
where:
Base-Base interactions energy: -119.482
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.794
local terms energy: -80.344921
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -14.492
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: 13
Temperature: 1.100000
Total energy: -172.454298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454298 (E_RNA)
where:
Base-Base interactions energy: -106.352
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.107
local terms energy: -65.994968
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -13.437
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: 13
Temperature: 1.150000
Total energy: -174.764718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.764718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.764718 (E_RNA)
where:
Base-Base interactions energy: -109.579
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.665
local terms energy: -64.520772
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -7.854
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.070
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: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.604504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.604504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.604504 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.610
local terms energy: -62.077707
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -13.416
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -100.027853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.027853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.027853 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -37.326
Base-Backbone interact. energy: 0.891
local terms energy: -63.592893
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -83.043387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.043387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.043387 (E_RNA)
where:
Base-Base interactions energy: -26.119
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.173
local terms energy: -56.750899
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -9.661
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -85.557964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557964 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.099
local terms energy: -51.722471
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -247.590278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.590278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.590278 (E_RNA)
where:
Base-Base interactions energy: -163.066
where: short stacking energy: -78.447
Base-Backbone interact. energy: -0.301
local terms energy: -84.223642
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -222.893827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.893827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.893827 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -69.322
Base-Backbone interact. energy: -0.166
local terms energy: -75.532090
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -18.441
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -199.742052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.742052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.742052 (E_RNA)
where:
Base-Base interactions energy: -121.463
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.798
local terms energy: -77.480971
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -16.352
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: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -195.869878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.869878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.869878 (E_RNA)
where:
Base-Base interactions energy: -122.224
where: short stacking energy: -72.009
Base-Backbone interact. energy: -0.004
local terms energy: -73.641512
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -174.845274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.845274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.845274 (E_RNA)
where:
Base-Base interactions energy: -100.018
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.708
local terms energy: -74.119201
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -177.661443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.661443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.661443 (E_RNA)
where:
Base-Base interactions energy: -101.851
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.090
local terms energy: -75.719868
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -90.045829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045829 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.605
local terms energy: -60.278788
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.093
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: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -113.373972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.373972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.373972 (E_RNA)
where:
Base-Base interactions energy: -48.839
where: short stacking energy: -48.839
Base-Backbone interact. energy: -0.030
local terms energy: -64.504990
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -98.749069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.749069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.749069 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -20.968
Base-Backbone interact. energy: 0.537
local terms energy: -51.844772
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -90.333553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.333553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.333553 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.093
local terms energy: -52.438520
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -8.697
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: 15
Temperature: 0.900000
Total energy: -243.365839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.365839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.365839 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -77.892
Base-Backbone interact. energy: -0.162
local terms energy: -86.522077
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.602
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: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -213.425776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425776 (E_RNA)
where:
Base-Base interactions energy: -135.339
where: short stacking energy: -75.744
Base-Backbone interact. energy: -0.001
local terms energy: -78.085847
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -16.091
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -217.465748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.465748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.465748 (E_RNA)
where:
Base-Base interactions energy: -141.711
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.258
local terms energy: -75.496670
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.777
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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -177.872678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.872678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.872678 (E_RNA)
where:
Base-Base interactions energy: -99.595
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.470
local terms energy: -77.807330
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -16.420
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -204.328920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.328920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.328920 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.011
local terms energy: -68.406426
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -177.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.230737 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -57.118
Base-Backbone interact. energy: -1.296
local terms energy: -61.275662
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -126.874571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.874571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.874571 (E_RNA)
where:
Base-Base interactions energy: -66.871
where: short stacking energy: -50.535
Base-Backbone interact. energy: -0.457
local terms energy: -59.547192
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -90.189383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189383 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.160
local terms energy: -53.004350
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -94.488746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488746 (E_RNA)
where:
Base-Base interactions energy: -45.926
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.149
local terms energy: -48.413631
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -78.741945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741945 (E_RNA)
where:
Base-Base interactions energy: -38.034
where: short stacking energy: -35.001
Base-Backbone interact. energy: -2.449
local terms energy: -38.258450
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -1.012
tors. eta vs tors. theta energy: -4.176
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: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -230.387060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.387060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387060 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -83.049
Base-Backbone interact. energy: -0.336
local terms energy: -80.595913
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -213.641460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.641460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.641460 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.011
local terms energy: -77.721636
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -185.459613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.459613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.459613 (E_RNA)
where:
Base-Base interactions energy: -111.765
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.531
local terms energy: -73.163517
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -195.411031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.411031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.411031 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.098
local terms energy: -65.858557
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -196.289956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.289956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.289956 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.004
local terms energy: -66.955934
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -178.597587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.597587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.597587 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.168
local terms energy: -64.878013
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -97.966897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.966897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.966897 (E_RNA)
where:
Base-Base interactions energy: -44.258
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.359
local terms energy: -53.349902
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -1.842
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -91.924946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.924946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.924946 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -33.851
Base-Backbone interact. energy: -1.904
local terms energy: -51.262013
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -6.738
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: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -113.212205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.212205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.212205 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.389
local terms energy: -50.614935
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -12.295
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: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -81.835640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.835640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.835640 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.040
local terms energy: -48.021241
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -225.394675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.394675 (E_RNA)
where:
Base-Base interactions energy: -143.535
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.460
local terms energy: -81.400312
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -207.596105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.596105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.596105 (E_RNA)
where:
Base-Base interactions energy: -130.386
where: short stacking energy: -80.537
Base-Backbone interact. energy: -0.005
local terms energy: -77.205415
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -182.294521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.294521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.294521 (E_RNA)
where:
Base-Base interactions energy: -114.726
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.158
local terms energy: -67.410086
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -12.425
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -215.612623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612623 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -76.687
Base-Backbone interact. energy: 0.189
local terms energy: -79.519369
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -180.902389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.902389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902389 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -55.727
Base-Backbone interact. energy: 0.174
local terms energy: -64.204599
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -176.668428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.668428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.668428 (E_RNA)
where:
Base-Base interactions energy: -112.900
where: short stacking energy: -50.879
Base-Backbone interact. energy: -0.574
local terms energy: -63.193773
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -103.022153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.022153 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -34.261
Base-Backbone interact. energy: -0.008
local terms energy: -68.652432
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -120.533893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.533893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.533893 (E_RNA)
where:
Base-Base interactions energy: -62.220
where: short stacking energy: -39.645
Base-Backbone interact. energy: -1.738
local terms energy: -56.576023
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -3.828
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: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -92.828901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.828901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.828901 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.975
local terms energy: -59.520768
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -89.720847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.720847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.720847 (E_RNA)
where:
Base-Base interactions energy: -33.097
where: short stacking energy: -30.621
Base-Backbone interact. energy: 1.651
local terms energy: -58.275342
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -3.746
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -230.414357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.414357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.414357 (E_RNA)
where:
Base-Base interactions energy: -152.468
where: short stacking energy: -72.966
Base-Backbone interact. energy: -0.414
local terms energy: -77.532274
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.150
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: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -208.389480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.389480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.389480 (E_RNA)
where:
Base-Base interactions energy: -135.820
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.013
local terms energy: -72.555987
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -213.222361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.222361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.222361 (E_RNA)
where:
Base-Base interactions energy: -140.023
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.353
local terms energy: -72.847304
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -184.471502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.471502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.471502 (E_RNA)
where:
Base-Base interactions energy: -109.756
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.636
local terms energy: -74.079128
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.955
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: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -186.248240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.248240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.248240 (E_RNA)
where:
Base-Base interactions energy: -115.773
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.120
local terms energy: -70.355911
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -169.111893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.111893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.111893 (E_RNA)
where:
Base-Base interactions energy: -101.633
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.029
local terms energy: -67.450821
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -114.780118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.780118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.780118 (E_RNA)
where:
Base-Base interactions energy: -48.249
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.646
local terms energy: -65.884240
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.712
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: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -165.225590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.225590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.225590 (E_RNA)
where:
Base-Base interactions energy: -110.918
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.953
local terms energy: -53.353873
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -5.840
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: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -92.178805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.178805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.178805 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.132
local terms energy: -56.474986
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -3.578
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: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.681327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.681327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.681327 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -22.757
Base-Backbone interact. energy: -0.417
local terms energy: -53.241911
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -1.138
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: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -232.446473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.446473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.446473 (E_RNA)
where:
Base-Base interactions energy: -154.305
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.006
local terms energy: -78.135186
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -237.677649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.677649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.677649 (E_RNA)
where:
Base-Base interactions energy: -153.103
where: short stacking energy: -78.898
Base-Backbone interact. energy: 0.472
local terms energy: -85.046340
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -214.382851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.382851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.382851 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.038
local terms energy: -77.644159
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -184.253788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.253788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253788 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.113
local terms energy: -68.943162
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -14.785
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: 19
Temperature: 1.100000
Total energy: -194.526686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.526686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.526686 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.036
local terms energy: -73.903296
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.489
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: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -201.723293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.723293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.723293 (E_RNA)
where:
Base-Base interactions energy: -121.921
where: short stacking energy: -75.194
Base-Backbone interact. energy: -0.105
local terms energy: -79.697542
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.736
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: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -169.860434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.860434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.860434 (E_RNA)
where:
Base-Base interactions energy: -96.693
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.477
local terms energy: -72.690512
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -156.289561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.289561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.289561 (E_RNA)
where:
Base-Base interactions energy: -91.372
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.198
local terms energy: -64.719517
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -90.161282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.161282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.161282 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -37.009
Base-Backbone interact. energy: -0.055
local terms energy: -44.689019
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -10.255
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: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -90.760481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760481 (E_RNA)
where:
Base-Base interactions energy: -31.495
where: short stacking energy: -27.723
Base-Backbone interact. energy: -0.567
local terms energy: -58.699082
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -237.083442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.083442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.083442 (E_RNA)
where:
Base-Base interactions energy: -156.727
where: short stacking energy: -75.840
Base-Backbone interact. energy: -0.005
local terms energy: -80.351239
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -25.536
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -230.838254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.838254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.838254 (E_RNA)
where:
Base-Base interactions energy: -154.869
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.095
local terms energy: -75.873662
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -20.252
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: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -218.174100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174100 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.911
local terms energy: -75.158857
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -200.745404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.745404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.745404 (E_RNA)
where:
Base-Base interactions energy: -129.715
where: short stacking energy: -73.765
Base-Backbone interact. energy: 0.458
local terms energy: -71.488723
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -184.975480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.975480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.975480 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -60.434
Base-Backbone interact. energy: 0.116
local terms energy: -70.148021
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -178.849820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.849820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.849820 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.297
local terms energy: -73.539063
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -14.907
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: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -178.596063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.596063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.596063 (E_RNA)
where:
Base-Base interactions energy: -109.308
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.079
local terms energy: -69.209001
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -17.769
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -156.406947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.406947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.406947 (E_RNA)
where:
Base-Base interactions energy: -96.113
where: short stacking energy: -47.003
Base-Backbone interact. energy: 0.110
local terms energy: -60.404554
where:
bonds (distance) C4'-P energy: -6.228
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -8.319
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: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -91.790413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.790413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.790413 (E_RNA)
where:
Base-Base interactions energy: -33.474
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.252
local terms energy: -58.064456
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -88.576866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.576866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.576866 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.220
local terms energy: -56.628524
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -237.667139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.667139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.667139 (E_RNA)
where:
Base-Base interactions energy: -156.236
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.348
local terms energy: -81.083227
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -24.622
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: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -224.078330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.078330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.078330 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.004
local terms energy: -75.815810
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -213.605341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605341 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -61.427
Base-Backbone interact. energy: -1.263
local terms energy: -74.946954
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -223.819212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.819212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.819212 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.117
local terms energy: -77.740389
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -186.998970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.998970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.998970 (E_RNA)
where:
Base-Base interactions energy: -113.693
where: short stacking energy: -56.241
Base-Backbone interact. energy: -0.516
local terms energy: -72.789827
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -13.657
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: 21
Temperature: 1.150000
Total energy: -192.224624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.224624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.224624 (E_RNA)
where:
Base-Base interactions energy: -119.997
where: short stacking energy: -58.102
Base-Backbone interact. energy: -0.620
local terms energy: -71.607510
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -179.023517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.023517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.023517 (E_RNA)
where:
Base-Base interactions energy: -108.473
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.805
local terms energy: -69.745867
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -15.581
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: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -158.391306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.391306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.391306 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -55.739
Base-Backbone interact. energy: -0.340
local terms energy: -60.205853
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -90.515416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515416 (E_RNA)
where:
Base-Base interactions energy: -40.227
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.104
local terms energy: -50.184100
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.258027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.258027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.258027 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.497
local terms energy: -47.444148
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -5.086
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: 22
Temperature: 0.900000
Total energy: -229.146881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.146881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.146881 (E_RNA)
where:
Base-Base interactions energy: -150.341
where: short stacking energy: -73.671
Base-Backbone interact. energy: -0.114
local terms energy: -78.692144
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -229.490932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.490932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.490932 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.225
local terms energy: -77.920297
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -215.239410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.239410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.239410 (E_RNA)
where:
Base-Base interactions energy: -147.647
where: short stacking energy: -70.125
Base-Backbone interact. energy: -0.567
local terms energy: -67.025070
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -8.490
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: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -208.572827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.572827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.572827 (E_RNA)
where:
Base-Base interactions energy: -129.346
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.023
local terms energy: -79.203764
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -186.965127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.965127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.965127 (E_RNA)
where:
Base-Base interactions energy: -119.375
where: short stacking energy: -66.777
Base-Backbone interact. energy: 0.156
local terms energy: -67.746123
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -176.246310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.246310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.246310 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.360
local terms energy: -60.985055
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -6.980
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: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -155.504840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504840 (E_RNA)
where:
Base-Base interactions energy: -95.915
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.098
local terms energy: -59.492370
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -177.842415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.842415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842415 (E_RNA)
where:
Base-Base interactions energy: -110.728
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.155
local terms energy: -66.959640
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -9.713
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: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -94.434895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.434895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.434895 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.104
local terms energy: -56.352733
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -4.111
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -84.528191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.528191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.528191 (E_RNA)
where:
Base-Base interactions energy: -51.507
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.144
local terms energy: -32.877262
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: 3.320
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -243.841078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.841078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.841078 (E_RNA)
where:
Base-Base interactions energy: -157.800
where: short stacking energy: -71.666
Base-Backbone interact. energy: -2.008
local terms energy: -84.032403
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -227.802950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.802950 (E_RNA)
where:
Base-Base interactions energy: -154.583
where: short stacking energy: -71.273
Base-Backbone interact. energy: -0.022
local terms energy: -73.198200
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -14.368
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -218.136356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.136356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.136356 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.089
local terms energy: -78.611272
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -207.426470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.426470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.426470 (E_RNA)
where:
Base-Base interactions energy: -129.084
where: short stacking energy: -67.931
Base-Backbone interact. energy: -0.084
local terms energy: -78.258499
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -179.820689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.820689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.820689 (E_RNA)
where:
Base-Base interactions energy: -117.573
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.005
local terms energy: -62.242586
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -14.273
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: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -176.055947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.055947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.055947 (E_RNA)
where:
Base-Base interactions energy: -107.530
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.191
local terms energy: -68.334971
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -150.496831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.496831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.496831 (E_RNA)
where:
Base-Base interactions energy: -88.755
where: short stacking energy: -42.124
Base-Backbone interact. energy: -0.293
local terms energy: -61.449013
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -177.047114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.047114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.047114 (E_RNA)
where:
Base-Base interactions energy: -107.041
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.026
local terms energy: -69.979643
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -89.010224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.010224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.010224 (E_RNA)
where:
Base-Base interactions energy: -30.522
where: short stacking energy: -30.522
Base-Backbone interact. energy: -1.139
local terms energy: -57.349233
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -91.772773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772773 (E_RNA)
where:
Base-Base interactions energy: -41.907
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.229
local terms energy: -49.636771
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -1.703
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: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -238.498059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.498059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.498059 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.767
local terms energy: -86.169603
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -13.696
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -220.659553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.659553 (E_RNA)
where:
Base-Base interactions energy: -149.624
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.181
local terms energy: -70.854592
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -202.860076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.860076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.860076 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.006
local terms energy: -70.826199
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -202.050454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.050454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050454 (E_RNA)
where:
Base-Base interactions energy: -133.657
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.339
local terms energy: -68.053771
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -190.436235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.436235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.436235 (E_RNA)
where:
Base-Base interactions energy: -110.718
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.106
local terms energy: -79.612871
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -166.931007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.931007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.931007 (E_RNA)
where:
Base-Base interactions energy: -97.236
where: short stacking energy: -51.729
Base-Backbone interact. energy: -0.045
local terms energy: -69.650617
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -15.580
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -174.494877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.494877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.494877 (E_RNA)
where:
Base-Base interactions energy: -101.680
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.065
local terms energy: -72.750088
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -151.237219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.237219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.237219 (E_RNA)
where:
Base-Base interactions energy: -83.312
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.312
local terms energy: -67.612693
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -91.458014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458014 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -26.836
Base-Backbone interact. energy: -0.153
local terms energy: -52.854557
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -85.094318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.094318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.094318 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -28.355
Base-Backbone interact. energy: -0.049
local terms energy: -54.426176
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -236.012969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.012969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.012969 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.716
local terms energy: -78.729336
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -220.121101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.121101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.121101 (E_RNA)
where:
Base-Base interactions energy: -152.699
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.251
local terms energy: -67.170551
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.435
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -197.443028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.443028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.443028 (E_RNA)
where:
Base-Base interactions energy: -126.986
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.114
local terms energy: -70.342752
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -10.403
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: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -221.299755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.299755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.299755 (E_RNA)
where:
Base-Base interactions energy: -139.896
where: short stacking energy: -77.196
Base-Backbone interact. energy: -0.148
local terms energy: -81.255863
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.910
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: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -182.887032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.887032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.887032 (E_RNA)
where:
Base-Base interactions energy: -108.742
where: short stacking energy: -58.218
Base-Backbone interact. energy: -0.001
local terms energy: -74.143792
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -174.767363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.767363 (E_RNA)
where:
Base-Base interactions energy: -104.857
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.127
local terms energy: -69.783740
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -13.858
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: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -183.599817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.599817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.599817 (E_RNA)
where:
Base-Base interactions energy: -110.554
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.292
local terms energy: -72.753610
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -17.311
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: 25
Temperature: 1.250000
Total energy: -173.308307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.308307 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.130
local terms energy: -69.253405
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -17.411
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: 25
Temperature: 1.300000
Total energy: -101.573873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.573873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.573873 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -40.017
Base-Backbone interact. energy: 0.051
local terms energy: -55.651189
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -7.405
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -85.485901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485901 (E_RNA)
where:
Base-Base interactions energy: -37.659
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.016
local terms energy: -47.811431
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -248.223940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.223940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.223940 (E_RNA)
where:
Base-Base interactions energy: -164.081
where: short stacking energy: -79.023
Base-Backbone interact. energy: -0.008
local terms energy: -84.135525
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.015
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -214.357631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.357631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.357631 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.006
local terms energy: -80.301010
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -12.900
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: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -199.997831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.997831 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.020
local terms energy: -77.577252
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -200.681016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.681016 (E_RNA)
where:
Base-Base interactions energy: -124.443
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.006
local terms energy: -76.231797
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -17.896
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: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -189.693221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.693221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.693221 (E_RNA)
where:
Base-Base interactions energy: -113.926
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.267
local terms energy: -75.499679
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -156.509752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.509752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.509752 (E_RNA)
where:
Base-Base interactions energy: -94.844
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.267
local terms energy: -61.398920
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -172.902958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.902958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.902958 (E_RNA)
where:
Base-Base interactions energy: -111.214
where: short stacking energy: -56.047
Base-Backbone interact. energy: -1.465
local terms energy: -60.224122
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -176.826081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.826081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.826081 (E_RNA)
where:
Base-Base interactions energy: -111.126
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.509
local terms energy: -65.191312
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -88.002830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002830 (E_RNA)
where:
Base-Base interactions energy: -40.809
where: short stacking energy: -23.455
Base-Backbone interact. energy: -0.420
local terms energy: -46.773777
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -76.226088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226088 (E_RNA)
where:
Base-Base interactions energy: -28.914
where: short stacking energy: -24.732
Base-Backbone interact. energy: -0.565
local terms energy: -46.746691
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: 3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -236.890295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.890295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.890295 (E_RNA)
where:
Base-Base interactions energy: -155.154
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.123
local terms energy: -81.613952
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -220.811943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.811943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.811943 (E_RNA)
where:
Base-Base interactions energy: -142.236
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.164
local terms energy: -78.411347
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -15.893
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -192.373236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.373236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.373236 (E_RNA)
where:
Base-Base interactions energy: -111.884
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.253
local terms energy: -80.235700
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -11.246
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: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -183.747391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.747391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.747391 (E_RNA)
where:
Base-Base interactions energy: -109.986
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.041
local terms energy: -73.720313
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -187.558066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.558066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.558066 (E_RNA)
where:
Base-Base interactions energy: -125.965
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.393
local terms energy: -61.199800
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -196.560183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560183 (E_RNA)
where:
Base-Base interactions energy: -121.271
where: short stacking energy: -63.213
Base-Backbone interact. energy: 0.641
local terms energy: -75.930273
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -165.164056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164056 (E_RNA)
where:
Base-Base interactions energy: -104.497
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.188
local terms energy: -60.479708
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -148.536393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.536393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.536393 (E_RNA)
where:
Base-Base interactions energy: -86.545
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.555
local terms energy: -61.436118
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -96.349803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349803 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -27.287
Base-Backbone interact. energy: -1.009
local terms energy: -56.355143
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -1.178
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: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -80.576324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.576324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.576324 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -27.452
Base-Backbone interact. energy: -1.144
local terms energy: -43.599168
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -9.711
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: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -235.012428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.012428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.012428 (E_RNA)
where:
Base-Base interactions energy: -153.284
where: short stacking energy: -77.666
Base-Backbone interact. energy: -0.560
local terms energy: -81.168142
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -208.402862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.402862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.402862 (E_RNA)
where:
Base-Base interactions energy: -130.902
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.044
local terms energy: -77.456397
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -197.813162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813162 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.711
local terms energy: -78.695089
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -197.900186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.900186 (E_RNA)
where:
Base-Base interactions energy: -125.032
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.540
local terms energy: -72.328206
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -12.925
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -185.838758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.838758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.838758 (E_RNA)
where:
Base-Base interactions energy: -122.826
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.075
local terms energy: -62.937794
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -181.510631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.510631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.510631 (E_RNA)
where:
Base-Base interactions energy: -111.185
where: short stacking energy: -54.612
Base-Backbone interact. energy: 0.103
local terms energy: -70.428123
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -152.682303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.682303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.682303 (E_RNA)
where:
Base-Base interactions energy: -89.874
where: short stacking energy: -49.766
Base-Backbone interact. energy: -0.172
local terms energy: -62.636032
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -151.155753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.155753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.155753 (E_RNA)
where:
Base-Base interactions energy: -102.118
where: short stacking energy: -48.531
Base-Backbone interact. energy: 1.819
local terms energy: -50.856020
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: 0.115
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -97.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.984466 (E_RNA)
where:
Base-Base interactions energy: -51.017
where: short stacking energy: -39.312
Base-Backbone interact. energy: -0.025
local terms energy: -46.941958
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -0.487
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -89.629405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629405 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -41.156
Base-Backbone interact. energy: -0.366
local terms energy: -48.108241
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -242.248127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.248127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.248127 (E_RNA)
where:
Base-Base interactions energy: -160.491
where: short stacking energy: -79.796
Base-Backbone interact. energy: -0.003
local terms energy: -81.754496
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -209.987475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987475 (E_RNA)
where:
Base-Base interactions energy: -134.924
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.111
local terms energy: -74.952606
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -210.097997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097997 (E_RNA)
where:
Base-Base interactions energy: -133.145
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.023
local terms energy: -76.930276
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -16.181
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: 29
Temperature: 1.050000
Total energy: -190.482195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482195 (E_RNA)
where:
Base-Base interactions energy: -117.114
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.203
local terms energy: -73.165598
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -18.451
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -197.219327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.219327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.219327 (E_RNA)
where:
Base-Base interactions energy: -134.006
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.110
local terms energy: -63.103010
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -163.943442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.943442 (E_RNA)
where:
Base-Base interactions energy: -100.638
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.220
local terms energy: -63.084807
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -144.038423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.038423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.038423 (E_RNA)
where:
Base-Base interactions energy: -89.553
where: short stacking energy: -47.463
Base-Backbone interact. energy: 1.652
local terms energy: -56.137475
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -6.950
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -156.823294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.823294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.823294 (E_RNA)
where:
Base-Base interactions energy: -107.313
where: short stacking energy: -42.084
Base-Backbone interact. energy: -0.459
local terms energy: -49.050829
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -6.535
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -86.131988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.131988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.131988 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.046
local terms energy: -56.268743
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -0.344
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -85.231010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231010 (E_RNA)
where:
Base-Base interactions energy: -21.252
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.174
local terms energy: -63.805005
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -252.352454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352454 (E_RNA)
where:
Base-Base interactions energy: -166.968
where: short stacking energy: -80.643
Base-Backbone interact. energy: -0.028
local terms energy: -85.357087
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -209.523085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.523085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523085 (E_RNA)
where:
Base-Base interactions energy: -127.941
where: short stacking energy: -73.825
Base-Backbone interact. energy: -0.070
local terms energy: -81.512500
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.009
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: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -202.012141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.012141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.012141 (E_RNA)
where:
Base-Base interactions energy: -124.031
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.013
local terms energy: -77.968486
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -193.877351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877351 (E_RNA)
where:
Base-Base interactions energy: -119.781
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.478
local terms energy: -73.618670
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -194.450313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.450313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.450313 (E_RNA)
where:
Base-Base interactions energy: -125.740
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.249
local terms energy: -68.461571
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -190.716705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.716705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.716705 (E_RNA)
where:
Base-Base interactions energy: -115.135
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.022
local terms energy: -75.559474
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -14.190
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: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -155.371209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.371209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.371209 (E_RNA)
where:
Base-Base interactions energy: -94.128
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.769
local terms energy: -60.473990
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -8.320
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: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -114.457596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.457596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.457596 (E_RNA)
where:
Base-Base interactions energy: -57.073
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.055
local terms energy: -57.328833
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -8.313
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: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -91.040003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040003 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -29.004
Base-Backbone interact. energy: -0.449
local terms energy: -51.480692
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -2.147
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: 30
Temperature: 1.350000
Total energy: -88.339838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.339838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.339838 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.337
local terms energy: -47.893711
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: 0.649
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: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -241.794888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.794888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.794888 (E_RNA)
where:
Base-Base interactions energy: -156.129
where: short stacking energy: -80.076
Base-Backbone interact. energy: -1.027
local terms energy: -84.639389
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -218.436760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436760 (E_RNA)
where:
Base-Base interactions energy: -141.556
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.189
local terms energy: -76.692312
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -201.062531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.062531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.062531 (E_RNA)
where:
Base-Base interactions energy: -128.813
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.105
local terms energy: -72.145272
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -198.988961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.988961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.988961 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -58.705
Base-Backbone interact. energy: 0.415
local terms energy: -67.966585
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -12.567
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -200.387880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.387880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.387880 (E_RNA)
where:
Base-Base interactions energy: -127.337
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.092
local terms energy: -72.958233
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -9.788
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: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -171.899632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.899632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.899632 (E_RNA)
where:
Base-Base interactions energy: -100.206
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.731
local terms energy: -70.962545
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -8.903
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: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -171.854894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.854894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.854894 (E_RNA)
where:
Base-Base interactions energy: -98.068
where: short stacking energy: -53.218
Base-Backbone interact. energy: -0.238
local terms energy: -73.549277
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -102.691947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.691947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.691947 (E_RNA)
where:
Base-Base interactions energy: -47.045
where: short stacking energy: -37.915
Base-Backbone interact. energy: -0.536
local terms energy: -55.111574
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -7.653
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -87.561944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561944 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.143
local terms energy: -52.157114
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -2.537
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: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -92.027268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.027268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.027268 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -26.003
Base-Backbone interact. energy: -0.015
local terms energy: -54.061783
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -215.315011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.315011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.315011 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -78.209
Base-Backbone interact. energy: -1.225
local terms energy: -79.800698
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.648
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: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -236.209075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.209075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.209075 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.005
local terms energy: -83.455340
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -203.247507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.247507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.247507 (E_RNA)
where:
Base-Base interactions energy: -128.337
where: short stacking energy: -60.976
Base-Backbone interact. energy: 0.588
local terms energy: -75.498177
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -202.699856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.699856 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.021
local terms energy: -71.374084
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -19.450
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: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -181.484639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.484639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.484639 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.068
local terms energy: -66.133906
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -15.482
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -164.740837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.740837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.740837 (E_RNA)
where:
Base-Base interactions energy: -99.055
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.278
local terms energy: -65.407365
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -8.645
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: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -166.358245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358245 (E_RNA)
where:
Base-Base interactions energy: -99.972
where: short stacking energy: -52.132
Base-Backbone interact. energy: -0.498
local terms energy: -65.888530
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -95.881754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.881754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.881754 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -32.891
Base-Backbone interact. energy: -1.524
local terms energy: -48.101453
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -87.483826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.483826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.483826 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.009
local terms energy: -52.254145
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.417228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417228 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -26.719
Base-Backbone interact. energy: -0.219
local terms energy: -46.091781
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -7.928
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: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -219.800950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800950 (E_RNA)
where:
Base-Base interactions energy: -138.921
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.045
local terms energy: -80.835560
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -230.871571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.871571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.871571 (E_RNA)
where:
Base-Base interactions energy: -153.758
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.065
local terms energy: -77.048610
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -213.431817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431817 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.003
local terms energy: -75.065328
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -199.918560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.918560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.918560 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -78.568
Base-Backbone interact. energy: -0.090
local terms energy: -76.214769
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -20.015
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: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -185.341826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.341826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.341826 (E_RNA)
where:
Base-Base interactions energy: -112.838
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.104
local terms energy: -72.399520
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -175.885421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885421 (E_RNA)
where:
Base-Base interactions energy: -103.221
where: short stacking energy: -53.677
Base-Backbone interact. energy: -0.213
local terms energy: -72.451435
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -169.334351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.334351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.334351 (E_RNA)
where:
Base-Base interactions energy: -99.792
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.244
local terms energy: -69.298832
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.404041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.404041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.404041 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.112
local terms energy: -53.702579
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -88.733882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.733882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.733882 (E_RNA)
where:
Base-Base interactions energy: -38.145
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.066
local terms energy: -50.522464
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -8.338
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: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -80.869349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.869349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.869349 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.008
local terms energy: -48.236685
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: 3.269
tors. eta vs tors. theta energy: -1.086
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: 34
Temperature: 0.900000
Total energy: -245.122419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.122419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.122419 (E_RNA)
where:
Base-Base interactions energy: -169.652
where: short stacking energy: -82.539
Base-Backbone interact. energy: -0.043
local terms energy: -75.428002
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.915
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -219.012005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.012005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012005 (E_RNA)
where:
Base-Base interactions energy: -143.628
where: short stacking energy: -79.196
Base-Backbone interact. energy: -0.031
local terms energy: -75.352823
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.771
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: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -200.148300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.148300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.148300 (E_RNA)
where:
Base-Base interactions energy: -122.729
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.059
local terms energy: -77.360450
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -15.851
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -209.410379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.410379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.410379 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.048
local terms energy: -78.076274
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -173.293100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.293100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.293100 (E_RNA)
where:
Base-Base interactions energy: -106.090
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.164
local terms energy: -67.038830
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -167.493025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493025 (E_RNA)
where:
Base-Base interactions energy: -99.922
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.279
local terms energy: -67.291679
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -12.679
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -165.240597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.240597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.240597 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.369
local terms energy: -70.923204
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -12.723
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -102.916995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.916995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.916995 (E_RNA)
where:
Base-Base interactions energy: -43.735
where: short stacking energy: -39.139
Base-Backbone interact. energy: 0.889
local terms energy: -60.071001
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -11.872
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: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.503571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503571 (E_RNA)
where:
Base-Base interactions energy: -27.137
where: short stacking energy: -15.672
Base-Backbone interact. energy: -0.068
local terms energy: -54.297773
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -0.303
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: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -83.917061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917061 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -31.458
Base-Backbone interact. energy: 0.801
local terms energy: -53.011016
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -2.816
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -238.787183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.787183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.787183 (E_RNA)
where:
Base-Base interactions energy: -156.638
where: short stacking energy: -77.438
Base-Backbone interact. energy: -0.072
local terms energy: -82.077023
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -223.598180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598180 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -76.961
Base-Backbone interact. energy: -0.456
local terms energy: -78.273127
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -200.668842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.668842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.668842 (E_RNA)
where:
Base-Base interactions energy: -117.524
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.006
local terms energy: -83.138992
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -214.956525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956525 (E_RNA)
where:
Base-Base interactions energy: -136.929
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.008
local terms energy: -78.018725
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -196.486575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.486575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.486575 (E_RNA)
where:
Base-Base interactions energy: -121.034
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.020
local terms energy: -75.432797
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -166.859327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.859327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.859327 (E_RNA)
where:
Base-Base interactions energy: -104.530
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.643
local terms energy: -61.685802
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -4.686
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: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -167.733948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.733948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.733948 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.223
local terms energy: -53.234971
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -9.214
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: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -113.684200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.684200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.684200 (E_RNA)
where:
Base-Base interactions energy: -49.879
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.297
local terms energy: -63.508478
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.229705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229705 (E_RNA)
where:
Base-Base interactions energy: -33.686
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.918
local terms energy: -50.626020
where:
bonds (distance) C4'-P energy: -6.656
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -3.095
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: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -86.384485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.384485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.384485 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.315
local terms energy: -46.005074
where:
bonds (distance) C4'-P energy: -8.317
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -225.703836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.703836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.703836 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.162
local terms energy: -80.949802
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -232.082638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.082638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.082638 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.420
local terms energy: -85.170546
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -13.512
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: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -213.832011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.832011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.832011 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.447
local terms energy: -78.395768
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -203.302530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302530 (E_RNA)
where:
Base-Base interactions energy: -132.900
where: short stacking energy: -60.478
Base-Backbone interact. energy: 2.002
local terms energy: -72.404681
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -13.995
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: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -201.741979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.741979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.741979 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -66.844
Base-Backbone interact. energy: 0.989
local terms energy: -72.077386
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -172.542075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.542075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.542075 (E_RNA)
where:
Base-Base interactions energy: -112.294
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.178
local terms energy: -60.069970
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -11.504
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: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -154.973658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.973658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.973658 (E_RNA)
where:
Base-Base interactions energy: -95.493
where: short stacking energy: -47.021
Base-Backbone interact. energy: -0.322
local terms energy: -59.158323
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -8.166
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: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -108.216301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.216301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.216301 (E_RNA)
where:
Base-Base interactions energy: -57.607
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.148
local terms energy: -50.461278
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -78.045355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.045355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.045355 (E_RNA)
where:
Base-Base interactions energy: -26.839
where: short stacking energy: -19.230
Base-Backbone interact. energy: -0.173
local terms energy: -51.033469
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: 2.285
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: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -86.058953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.058953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.058953 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -36.835
Base-Backbone interact. energy: -0.214
local terms energy: -50.301198
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -218.219886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219886 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.004
local terms energy: -80.595073
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -18.621
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: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -228.429375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.429375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.429375 (E_RNA)
where:
Base-Base interactions energy: -145.653
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.134
local terms energy: -82.641750
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -18.109
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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -213.058703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.058703 (E_RNA)
where:
Base-Base interactions energy: -149.412
where: short stacking energy: -63.130
Base-Backbone interact. energy: -0.098
local terms energy: -63.548388
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.479
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: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -210.887880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.887880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.887880 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.024
local terms energy: -68.760637
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -196.853886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.853886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.853886 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.672
local terms energy: -63.347399
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -18.980
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: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -151.941489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.941489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.941489 (E_RNA)
where:
Base-Base interactions energy: -86.719
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.637
local terms energy: -64.584957
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -165.529356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.529356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.529356 (E_RNA)
where:
Base-Base interactions energy: -89.976
where: short stacking energy: -46.611
Base-Backbone interact. energy: -0.515
local terms energy: -75.038891
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -7.681
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: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -94.134450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134450 (E_RNA)
where:
Base-Base interactions energy: -30.149
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.961
local terms energy: -63.023971
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -87.435345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435345 (E_RNA)
where:
Base-Base interactions energy: -45.411
where: short stacking energy: -24.566
Base-Backbone interact. energy: -0.061
local terms energy: -41.963608
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -77.936493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.936493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.936493 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.058
local terms energy: -43.829011
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -6.950
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -225.818116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818116 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.008
local terms energy: -82.971262
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -21.482
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: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -233.266630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.266630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.266630 (E_RNA)
where:
Base-Base interactions energy: -155.301
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.056
local terms energy: -77.909742
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.917
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: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -216.127566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.127566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.127566 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.526
local terms energy: -74.234238
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.819
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: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -201.090358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.090358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.090358 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.653
local terms energy: -62.382616
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -15.156
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: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -200.878557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878557 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.110
local terms energy: -65.143840
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -12.254
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -169.197944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.197944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.197944 (E_RNA)
where:
Base-Base interactions energy: -104.391
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.135
local terms energy: -64.671214
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -11.830
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: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -162.286812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.286812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.286812 (E_RNA)
where:
Base-Base interactions energy: -100.287
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.097
local terms energy: -61.902722
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -11.024
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -105.518758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.518758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.518758 (E_RNA)
where:
Base-Base interactions energy: -47.573
where: short stacking energy: -46.060
Base-Backbone interact. energy: 0.564
local terms energy: -58.510449
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -98.536760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.536760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.536760 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -39.678
Base-Backbone interact. energy: -0.038
local terms energy: -56.917484
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -89.058413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.058413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.058413 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -25.665
Base-Backbone interact. energy: -0.087
local terms energy: -45.246026
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -223.651233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.651233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.651233 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -75.212
Base-Backbone interact. energy: -0.171
local terms energy: -81.511019
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -233.373006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.373006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.373006 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -73.873
Base-Backbone interact. energy: -0.019
local terms energy: -77.265852
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -215.652321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.652321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.652321 (E_RNA)
where:
Base-Base interactions energy: -144.911
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.008
local terms energy: -70.733391
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -16.867
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: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -187.628710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628710 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.030
local terms energy: -67.042549
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -196.307492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.307492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.307492 (E_RNA)
where:
Base-Base interactions energy: -119.106
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.238
local terms energy: -76.963885
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -177.930801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.930801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.930801 (E_RNA)
where:
Base-Base interactions energy: -109.330
where: short stacking energy: -57.607
Base-Backbone interact. energy: 0.128
local terms energy: -68.729358
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -12.833
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -158.653498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.653498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.653498 (E_RNA)
where:
Base-Base interactions energy: -107.886
where: short stacking energy: -55.767
Base-Backbone interact. energy: -0.346
local terms energy: -50.421540
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -7.352
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: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -94.455958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.455958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.455958 (E_RNA)
where:
Base-Base interactions energy: -49.886
where: short stacking energy: -35.320
Base-Backbone interact. energy: -0.200
local terms energy: -44.370342
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.725442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725442 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -30.485
Base-Backbone interact. energy: 0.259
local terms energy: -45.462708
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -4.018
tors. eta vs tors. theta energy: -1.270
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: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -93.760511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.760511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.760511 (E_RNA)
where:
Base-Base interactions energy: -45.737
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.133
local terms energy: -47.890661
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -2.031
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: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -232.460512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.460512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.460512 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.346
local terms energy: -76.678184
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -229.784218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.784218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.784218 (E_RNA)
where:
Base-Base interactions energy: -148.047
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.037
local terms energy: -81.699969
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -215.007423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.007423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007423 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -72.542
Base-Backbone interact. energy: -0.077
local terms energy: -74.710224
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -196.768523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.768523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.768523 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -64.987
Base-Backbone interact. energy: -1.061
local terms energy: -78.360918
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -15.560
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: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -182.849121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.849121 (E_RNA)
where:
Base-Base interactions energy: -106.465
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.356
local terms energy: -76.028688
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -13.754
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: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -171.905180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.905180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.905180 (E_RNA)
where:
Base-Base interactions energy: -97.447
where: short stacking energy: -50.367
Base-Backbone interact. energy: 0.039
local terms energy: -74.496829
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -164.743011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.743011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.743011 (E_RNA)
where:
Base-Base interactions energy: -99.402
where: short stacking energy: -45.947
Base-Backbone interact. energy: -0.486
local terms energy: -64.855413
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -8.026
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -89.085704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085704 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -25.620
Base-Backbone interact. energy: -0.021
local terms energy: -51.805635
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -0.166
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -107.781390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.781390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.781390 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.062
local terms energy: -66.709169
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -4.508
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: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -87.623929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.623929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.623929 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -31.938
Base-Backbone interact. energy: 1.192
local terms energy: -54.479577
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -3.151
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -224.831396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.831396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.831396 (E_RNA)
where:
Base-Base interactions energy: -138.395
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.034
local terms energy: -86.402863
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -19.116
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: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -218.541956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.541956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.541956 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.015
local terms energy: -81.702481
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.599
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -209.527089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.527089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.527089 (E_RNA)
where:
Base-Base interactions energy: -136.257
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.059
local terms energy: -73.211300
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -203.411388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.411388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.411388 (E_RNA)
where:
Base-Base interactions energy: -127.854
where: short stacking energy: -65.464
Base-Backbone interact. energy: -0.052
local terms energy: -75.504864
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -14.631
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: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -181.226064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.226064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.226064 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.124
local terms energy: -60.770934
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -168.516883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.516883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.516883 (E_RNA)
where:
Base-Base interactions energy: -101.754
where: short stacking energy: -53.616
Base-Backbone interact. energy: 0.103
local terms energy: -66.865298
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -147.558153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.558153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.558153 (E_RNA)
where:
Base-Base interactions energy: -79.876
where: short stacking energy: -41.156
Base-Backbone interact. energy: -0.698
local terms energy: -66.984095
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -12.689
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: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -92.528539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.528539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.528539 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -31.646
Base-Backbone interact. energy: 0.026
local terms energy: -60.909051
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -90.543167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543167 (E_RNA)
where:
Base-Base interactions energy: -36.054
where: short stacking energy: -34.508
Base-Backbone interact. energy: -0.167
local terms energy: -54.322907
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -93.196094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.196094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.196094 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -31.254
Base-Backbone interact. energy: 1.460
local terms energy: -53.134334
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -222.574645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.574645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.574645 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.013
local terms energy: -82.241149
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -220.853339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.853339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.853339 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -81.500
Base-Backbone interact. energy: -0.041
local terms energy: -80.665255
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -222.716720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.716720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.716720 (E_RNA)
where:
Base-Base interactions energy: -144.207
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.681
local terms energy: -77.828811
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -209.535112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.535112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535112 (E_RNA)
where:
Base-Base interactions energy: -135.937
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.380
local terms energy: -73.218706
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -13.895
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -187.325015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.325015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.325015 (E_RNA)
where:
Base-Base interactions energy: -119.672
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.119
local terms energy: -67.534400
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -184.082264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.082264 (E_RNA)
where:
Base-Base interactions energy: -118.613
where: short stacking energy: -57.466
Base-Backbone interact. energy: 0.891
local terms energy: -66.359950
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -13.352
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: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -102.459094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.459094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.459094 (E_RNA)
where:
Base-Base interactions energy: -39.251
where: short stacking energy: -39.251
Base-Backbone interact. energy: -0.158
local terms energy: -63.050905
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -7.839
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: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -159.694051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.694051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.694051 (E_RNA)
where:
Base-Base interactions energy: -102.210
where: short stacking energy: -57.114
Base-Backbone interact. energy: -0.016
local terms energy: -57.467597
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: 0.384
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -92.251562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.251562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.251562 (E_RNA)
where:
Base-Base interactions energy: -34.930
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.341
local terms energy: -56.980788
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -4.316
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -87.974079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974079 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -33.205
Base-Backbone interact. energy: -1.342
local terms energy: -51.857355
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -217.421282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.421282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.421282 (E_RNA)
where:
Base-Base interactions energy: -138.501
where: short stacking energy: -67.320
Base-Backbone interact. energy: 0.191
local terms energy: -79.111616
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -198.503170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.503170 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.095
local terms energy: -71.468192
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -214.089329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.089329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.089329 (E_RNA)
where:
Base-Base interactions energy: -140.823
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.043
local terms energy: -73.223238
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -217.411855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.411855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.411855 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.994
local terms energy: -77.196576
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -192.840267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.840267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.840267 (E_RNA)
where:
Base-Base interactions energy: -118.183
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.519
local terms energy: -74.137704
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -13.017
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: 43
Temperature: 1.150000
Total energy: -187.333544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.333544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.333544 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.203
local terms energy: -67.248051
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -99.880295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.880295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.880295 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.365
local terms energy: -51.855188
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.985
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: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -149.293709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.293709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.293709 (E_RNA)
where:
Base-Base interactions energy: -89.960
where: short stacking energy: -52.743
Base-Backbone interact. energy: -0.817
local terms energy: -58.516592
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -9.416
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: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -93.370529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370529 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.836
local terms energy: -50.953933
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -6.246
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -85.573598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573598 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -26.097
Base-Backbone interact. energy: 1.070
local terms energy: -60.026504
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -5.022
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: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -215.925014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.925014 (E_RNA)
where:
Base-Base interactions energy: -136.120
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.035
local terms energy: -79.769433
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -209.988968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.988968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.988968 (E_RNA)
where:
Base-Base interactions energy: -129.475
where: short stacking energy: -63.223
Base-Backbone interact. energy: -0.119
local terms energy: -80.395156
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -13.828
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: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -221.941215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941215 (E_RNA)
where:
Base-Base interactions energy: -135.089
where: short stacking energy: -78.004
Base-Backbone interact. energy: -0.004
local terms energy: -86.847556
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -14.258
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -219.112244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.112244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.112244 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.010
local terms energy: -69.821552
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -196.160700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.160700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.160700 (E_RNA)
where:
Base-Base interactions energy: -127.004
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.398
local terms energy: -68.757784
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -172.937332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937332 (E_RNA)
where:
Base-Base interactions energy: -109.219
where: short stacking energy: -57.471
Base-Backbone interact. energy: -0.096
local terms energy: -63.623146
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -7.817
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -172.744397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.744397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.744397 (E_RNA)
where:
Base-Base interactions energy: -107.097
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.442
local terms energy: -65.205591
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -98.587286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.587286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.587286 (E_RNA)
where:
Base-Base interactions energy: -42.136
where: short stacking energy: -41.224
Base-Backbone interact. energy: -0.217
local terms energy: -56.233607
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -92.211774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211774 (E_RNA)
where:
Base-Base interactions energy: -46.057
where: short stacking energy: -31.768
Base-Backbone interact. energy: 0.204
local terms energy: -46.358827
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -82.883811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883811 (E_RNA)
where:
Base-Base interactions energy: -27.578
where: short stacking energy: -22.589
Base-Backbone interact. energy: 0.420
local terms energy: -55.725507
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -1.024
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: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -213.145355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.145355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.145355 (E_RNA)
where:
Base-Base interactions energy: -129.683
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.023
local terms energy: -83.439727
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -231.954135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.954135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.954135 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.490
local terms energy: -85.626553
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -9.054
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -223.614739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.614739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.614739 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -81.941
Base-Backbone interact. energy: -0.156
local terms energy: -72.972822
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -214.053570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.053570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.053570 (E_RNA)
where:
Base-Base interactions energy: -136.864
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.938
local terms energy: -76.252153
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -205.915144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.915144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.915144 (E_RNA)
where:
Base-Base interactions energy: -127.429
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.044
local terms energy: -78.441721
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -197.236275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.236275 (E_RNA)
where:
Base-Base interactions energy: -130.467
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.735
local terms energy: -66.033976
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -150.279848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.279848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.279848 (E_RNA)
where:
Base-Base interactions energy: -95.683
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.112
local terms energy: -54.485626
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -10.602
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: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -119.324170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.324170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.324170 (E_RNA)
where:
Base-Base interactions energy: -59.201
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.164
local terms energy: -59.959840
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -96.564581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.564581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.564581 (E_RNA)
where:
Base-Base interactions energy: -44.345
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.292
local terms energy: -51.927805
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.271
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -87.736904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736904 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.141
local terms energy: -55.920156
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -3.350
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -229.459161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.459161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.459161 (E_RNA)
where:
Base-Base interactions energy: -140.518
where: short stacking energy: -75.377
Base-Backbone interact. energy: -0.724
local terms energy: -88.217670
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -212.143332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143332 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.200
local terms energy: -76.215032
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -17.038
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -209.749998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749998 (E_RNA)
where:
Base-Base interactions energy: -126.783
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.063
local terms energy: -82.904366
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -193.671319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.671319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.671319 (E_RNA)
where:
Base-Base interactions energy: -122.988
where: short stacking energy: -63.880
Base-Backbone interact. energy: 0.064
local terms energy: -70.746793
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -17.636
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: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -215.182202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182202 (E_RNA)
where:
Base-Base interactions energy: -132.169
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.032
local terms energy: -82.981025
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.758
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: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -174.160685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.160685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.160685 (E_RNA)
where:
Base-Base interactions energy: -105.594
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.010
local terms energy: -68.556712
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -130.573012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.573012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.573012 (E_RNA)
where:
Base-Base interactions energy: -65.166
where: short stacking energy: -34.489
Base-Backbone interact. energy: -0.477
local terms energy: -64.930449
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -94.865026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.865026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.865026 (E_RNA)
where:
Base-Base interactions energy: -50.627
where: short stacking energy: -28.499
Base-Backbone interact. energy: 2.680
local terms energy: -46.917383
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -5.201
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.225943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.225943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.225943 (E_RNA)
where:
Base-Base interactions energy: -41.686
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.601
local terms energy: -43.939503
where:
bonds (distance) C4'-P energy: -7.343
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -85.845972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.845972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.845972 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -35.770
Base-Backbone interact. energy: -0.270
local terms energy: -48.111368
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -243.567041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.567041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.567041 (E_RNA)
where:
Base-Base interactions energy: -152.055
where: short stacking energy: -85.307
Base-Backbone interact. energy: -0.321
local terms energy: -91.191129
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -24.963
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: 47
Temperature: 0.950000
Total energy: -226.631688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.631688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.631688 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -78.352
Base-Backbone interact. energy: -0.059
local terms energy: -81.626544
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -21.461
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: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -206.892951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892951 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.111
local terms energy: -78.264707
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -197.781871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.781871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.781871 (E_RNA)
where:
Base-Base interactions energy: -139.443
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.030
local terms energy: -58.309091
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -2.765
tors. eta vs tors. theta energy: -11.794
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -208.280317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280317 (E_RNA)
where:
Base-Base interactions energy: -141.261
where: short stacking energy: -63.890
Base-Backbone interact. energy: -0.215
local terms energy: -66.804663
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -184.276392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.276392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.276392 (E_RNA)
where:
Base-Base interactions energy: -121.143
where: short stacking energy: -45.946
Base-Backbone interact. energy: -0.254
local terms energy: -62.878989
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -148.090925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.090925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.090925 (E_RNA)
where:
Base-Base interactions energy: -87.003
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.195
local terms energy: -60.892989
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -123.674645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.674645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.674645 (E_RNA)
where:
Base-Base interactions energy: -67.548
where: short stacking energy: -35.044
Base-Backbone interact. energy: -2.493
local terms energy: -53.634429
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.180038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.180038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.180038 (E_RNA)
where:
Base-Base interactions energy: -38.876
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.248
local terms energy: -48.055729
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -90.230038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.230038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.230038 (E_RNA)
where:
Base-Base interactions energy: -30.290
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.007
local terms energy: -59.933048
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -236.314885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.314885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.314885 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -89.598
Base-Backbone interact. energy: -0.463
local terms energy: -86.541180
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -23.549
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: 48
Temperature: 0.950000
Total energy: -227.800727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.800727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.800727 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -79.647
Base-Backbone interact. energy: -0.002
local terms energy: -85.976377
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -205.915052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.915052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.915052 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -63.260
Base-Backbone interact. energy: -0.001
local terms energy: -71.118300
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.315
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: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -217.435496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.435496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.435496 (E_RNA)
where:
Base-Base interactions energy: -142.354
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.034
local terms energy: -75.047690
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -193.093973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.093973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.093973 (E_RNA)
where:
Base-Base interactions energy: -115.793
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.083
local terms energy: -77.218092
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -206.199077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.199077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.199077 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.226
local terms energy: -72.354717
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.581
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -138.758027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.758027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.758027 (E_RNA)
where:
Base-Base interactions energy: -77.205
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.247
local terms energy: -61.305117
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -8.416
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: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -145.092333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.092333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.092333 (E_RNA)
where:
Base-Base interactions energy: -89.734
where: short stacking energy: -36.659
Base-Backbone interact. energy: 0.069
local terms energy: -55.427532
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -3.746
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: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.143244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.143244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.143244 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -39.586
Base-Backbone interact. energy: -0.370
local terms energy: -51.186392
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -86.123445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.123445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.123445 (E_RNA)
where:
Base-Base interactions energy: -34.770
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.205
local terms energy: -51.148162
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -239.740317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.740317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.740317 (E_RNA)
where:
Base-Base interactions energy: -149.492
where: short stacking energy: -80.357
Base-Backbone interact. energy: -0.042
local terms energy: -90.206997
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -229.046886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.046886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.046886 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.207
local terms energy: -89.824407
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -197.402248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.402248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.402248 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -71.304
Base-Backbone interact. energy: -0.024
local terms energy: -70.409000
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -213.256722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.256722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.256722 (E_RNA)
where:
Base-Base interactions energy: -134.226
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.128
local terms energy: -78.902283
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -21.730
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -179.519117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.519117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.519117 (E_RNA)
where:
Base-Base interactions energy: -114.493
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.014
local terms energy: -65.012601
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -193.057610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.057610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.057610 (E_RNA)
where:
Base-Base interactions energy: -132.820
where: short stacking energy: -66.951
Base-Backbone interact. energy: -0.132
local terms energy: -60.105356
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -140.375372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.375372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.375372 (E_RNA)
where:
Base-Base interactions energy: -82.846
where: short stacking energy: -40.542
Base-Backbone interact. energy: -0.509
local terms energy: -57.020582
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -174.499742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.499742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.499742 (E_RNA)
where:
Base-Base interactions energy: -114.066
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.023
local terms energy: -60.410944
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -89.922386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.922386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.922386 (E_RNA)
where:
Base-Base interactions energy: -34.824
where: short stacking energy: -34.824
Base-Backbone interact. energy: -0.062
local terms energy: -55.036003
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -90.232410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.232410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.232410 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.020
local terms energy: -56.798493
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -230.008306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.008306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.008306 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -81.725
Base-Backbone interact. energy: 0.296
local terms energy: -83.998232
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.593
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: 50
Temperature: 0.950000
Total energy: -228.010998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010998 (E_RNA)
where:
Base-Base interactions energy: -149.901
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.010
local terms energy: -78.099788
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -24.369
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -212.616153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.616153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.616153 (E_RNA)
where:
Base-Base interactions energy: -133.744
where: short stacking energy: -78.698
Base-Backbone interact. energy: -0.005
local terms energy: -78.866920
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -185.598633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.598633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.598633 (E_RNA)
where:
Base-Base interactions energy: -111.103
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.007
local terms energy: -74.489380
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -189.818530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.818530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.818530 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -65.016
Base-Backbone interact. energy: 2.229
local terms energy: -71.256611
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -167.321626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.321626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.321626 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.129
local terms energy: -61.587827
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -167.252306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.252306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.252306 (E_RNA)
where:
Base-Base interactions energy: -108.459
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.017
local terms energy: -58.776573
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -10.173
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: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -165.319728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.319728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.319728 (E_RNA)
where:
Base-Base interactions energy: -101.800
where: short stacking energy: -49.588
Base-Backbone interact. energy: -0.379
local terms energy: -63.140866
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -94.272842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.272842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.272842 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.261
local terms energy: -58.893782
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -9.076
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: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -103.383889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.383889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.383889 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.173
local terms energy: -65.440236
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -242.795429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.795429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.795429 (E_RNA)
where:
Base-Base interactions energy: -154.514
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.185
local terms energy: -88.096213
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -216.681818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681818 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.075
local terms energy: -75.955311
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -16.904
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: 51
Temperature: 1.000000
Total energy: -204.319234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.319234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.319234 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -75.617
Base-Backbone interact. energy: -0.012
local terms energy: -77.129929
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -192.655370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.655370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.655370 (E_RNA)
where:
Base-Base interactions energy: -115.721
where: short stacking energy: -76.424
Base-Backbone interact. energy: 0.195
local terms energy: -77.129629
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -192.070065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.070065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.070065 (E_RNA)
where:
Base-Base interactions energy: -120.792
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.077
local terms energy: -71.200956
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.982
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: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -116.066945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.066945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.066945 (E_RNA)
where:
Base-Base interactions energy: -53.081
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.153
local terms energy: -62.832871
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -180.341456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.341456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.341456 (E_RNA)
where:
Base-Base interactions energy: -113.069
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.057
local terms energy: -67.214696
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -112.910844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.910844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.910844 (E_RNA)
where:
Base-Base interactions energy: -48.106
where: short stacking energy: -48.106
Base-Backbone interact. energy: -1.321
local terms energy: -63.483544
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -13.603
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: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -146.649611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.649611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.649611 (E_RNA)
where:
Base-Base interactions energy: -85.375
where: short stacking energy: -37.229
Base-Backbone interact. energy: -0.588
local terms energy: -60.687073
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.491
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.945692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945692 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.144
local terms energy: -54.977541
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -3.638
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: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -241.659630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.659630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.659630 (E_RNA)
where:
Base-Base interactions energy: -148.652
where: short stacking energy: -83.141
Base-Backbone interact. energy: -1.652
local terms energy: -91.355081
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -14.720
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: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -227.137907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.137907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.137907 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.070
local terms energy: -79.338067
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -197.184553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.184553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.184553 (E_RNA)
where:
Base-Base interactions energy: -119.858
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.210
local terms energy: -77.116672
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -14.010
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: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -190.658319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.658319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658319 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -66.555
Base-Backbone interact. energy: -0.109
local terms energy: -71.449106
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.104
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: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -191.604831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.604831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.604831 (E_RNA)
where:
Base-Base interactions energy: -136.061
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.068
local terms energy: -55.474917
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -12.737
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: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -111.924116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.924116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.924116 (E_RNA)
where:
Base-Base interactions energy: -47.733
where: short stacking energy: -44.244
Base-Backbone interact. energy: -0.404
local terms energy: -63.787691
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -8.747
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: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -198.662716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.662716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.662716 (E_RNA)
where:
Base-Base interactions energy: -126.008
where: short stacking energy: -69.003
Base-Backbone interact. energy: 0.229
local terms energy: -72.883135
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -100.953158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.953158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.953158 (E_RNA)
where:
Base-Base interactions energy: -56.267
where: short stacking energy: -36.895
Base-Backbone interact. energy: 0.457
local terms energy: -45.142803
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -101.949064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.949064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.949064 (E_RNA)
where:
Base-Base interactions energy: -39.202
where: short stacking energy: -39.032
Base-Backbone interact. energy: -0.077
local terms energy: -62.670117
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -80.755518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755518 (E_RNA)
where:
Base-Base interactions energy: -21.973
where: short stacking energy: -21.174
Base-Backbone interact. energy: -0.217
local terms energy: -58.565663
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -233.545788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.545788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.545788 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -81.264
Base-Backbone interact. energy: -0.471
local terms energy: -86.263498
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.846
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -241.118036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.118036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.118036 (E_RNA)
where:
Base-Base interactions energy: -161.772
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.175
local terms energy: -79.171513
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -190.577763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.577763 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -63.600
Base-Backbone interact. energy: -1.385
local terms energy: -73.463469
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -200.386531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.386531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.386531 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -54.855
Base-Backbone interact. energy: -0.610
local terms energy: -70.214220
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.080
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -186.046925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.046925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.046925 (E_RNA)
where:
Base-Base interactions energy: -112.960
where: short stacking energy: -62.315
Base-Backbone interact. energy: 1.702
local terms energy: -74.789296
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -163.528199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.528199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.528199 (E_RNA)
where:
Base-Base interactions energy: -107.015
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.067
local terms energy: -56.445759
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -113.158591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.158591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.158591 (E_RNA)
where:
Base-Base interactions energy: -58.347
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.404
local terms energy: -54.407260
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -94.960897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.960897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.960897 (E_RNA)
where:
Base-Base interactions energy: -43.883
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.382
local terms energy: -50.695892
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -4.913
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: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -99.312959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.312959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.312959 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -36.373
Base-Backbone interact. energy: 0.201
local terms energy: -56.998297
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -85.214605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214605 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.094
local terms energy: -46.613577
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -232.974760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.974760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.974760 (E_RNA)
where:
Base-Base interactions energy: -145.913
where: short stacking energy: -77.921
Base-Backbone interact. energy: -0.006
local terms energy: -87.055777
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -217.465009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.465009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.465009 (E_RNA)
where:
Base-Base interactions energy: -130.598
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.211
local terms energy: -86.656330
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -195.887129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.887129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.887129 (E_RNA)
where:
Base-Base interactions energy: -114.251
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.041
local terms energy: -81.595926
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.101
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: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -195.378646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378646 (E_RNA)
where:
Base-Base interactions energy: -129.654
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.010
local terms energy: -65.714208
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -147.362405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.362405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.362405 (E_RNA)
where:
Base-Base interactions energy: -86.573
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.477
local terms energy: -60.312066
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -180.689780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.689780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.689780 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.143
local terms energy: -76.329961
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -12.827
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: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -98.481850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.481850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.481850 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -31.926
Base-Backbone interact. energy: -0.268
local terms energy: -63.912649
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -90.718406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.718406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.718406 (E_RNA)
where:
Base-Base interactions energy: -38.366
where: short stacking energy: -38.027
Base-Backbone interact. energy: -2.717
local terms energy: -49.634930
where:
bonds (distance) C4'-P energy: -3.911
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -11.299
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: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -99.078944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078944 (E_RNA)
where:
Base-Base interactions energy: -46.071
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.019
local terms energy: -52.988084
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -4.516
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: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -90.984053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984053 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.409
local terms energy: -61.182048
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -9.443
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: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -224.132036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.132036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.132036 (E_RNA)
where:
Base-Base interactions energy: -144.240
where: short stacking energy: -68.270
Base-Backbone interact. energy: 1.352
local terms energy: -81.243802
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -223.899641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.899641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.899641 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -79.576
Base-Backbone interact. energy: -0.229
local terms energy: -88.874091
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -13.983
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -200.743335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.743335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.743335 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -70.118
Base-Backbone interact. energy: 0.218
local terms energy: -82.456562
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -211.357965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.357965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.357965 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.028
local terms energy: -77.582505
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -176.667235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.667235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.667235 (E_RNA)
where:
Base-Base interactions energy: -103.951
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.900
local terms energy: -71.816410
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -120.675652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.675652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.675652 (E_RNA)
where:
Base-Base interactions energy: -52.018
where: short stacking energy: -47.195
Base-Backbone interact. energy: 0.013
local terms energy: -68.671310
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -11.822
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: 55
Temperature: 1.200000
Total energy: -158.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.929431 (E_RNA)
where:
Base-Base interactions energy: -98.265
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.170
local terms energy: -60.494280
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -105.246784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.246784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.246784 (E_RNA)
where:
Base-Base interactions energy: -55.960
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.231
local terms energy: -49.056452
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -94.288116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.288116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.288116 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -26.101
Base-Backbone interact. energy: -1.037
local terms energy: -58.347937
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -82.718254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.718254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.718254 (E_RNA)
where:
Base-Base interactions energy: -31.519
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.766
local terms energy: -50.433632
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -5.874
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -226.128082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128082 (E_RNA)
where:
Base-Base interactions energy: -142.732
where: short stacking energy: -82.214
Base-Backbone interact. energy: -2.029
local terms energy: -81.366930
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -217.829735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.829735 (E_RNA)
where:
Base-Base interactions energy: -144.155
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.202
local terms energy: -73.473238
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -182.812102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.812102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.812102 (E_RNA)
where:
Base-Base interactions energy: -114.234
where: short stacking energy: -71.098
Base-Backbone interact. energy: -0.202
local terms energy: -68.376690
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.559
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: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -196.973550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.973550 (E_RNA)
where:
Base-Base interactions energy: -121.114
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.184
local terms energy: -75.675423
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -16.786
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -136.610448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.610448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.610448 (E_RNA)
where:
Base-Base interactions energy: -66.845
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.045
local terms energy: -69.720917
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -108.410610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.410610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.410610 (E_RNA)
where:
Base-Base interactions energy: -51.974
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.900
local terms energy: -55.537336
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -176.644704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.644704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.644704 (E_RNA)
where:
Base-Base interactions energy: -110.363
where: short stacking energy: -57.987
Base-Backbone interact. energy: -0.011
local terms energy: -66.270769
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.257
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: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -91.808965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808965 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -31.037
Base-Backbone interact. energy: 0.696
local terms energy: -49.904477
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -98.932146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.932146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.932146 (E_RNA)
where:
Base-Base interactions energy: -42.676
where: short stacking energy: -38.756
Base-Backbone interact. energy: -0.262
local terms energy: -55.994047
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -5.580
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: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -85.371971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.371971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.371971 (E_RNA)
where:
Base-Base interactions energy: -26.112
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.154
local terms energy: -59.106281
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -2.217
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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -229.909393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.909393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.909393 (E_RNA)
where:
Base-Base interactions energy: -148.241
where: short stacking energy: -81.923
Base-Backbone interact. energy: -0.023
local terms energy: -81.645515
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -24.007
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -211.396325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396325 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.868
local terms energy: -78.689425
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.699
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: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -200.929877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.929877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.929877 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -54.256
Base-Backbone interact. energy: 0.509
local terms energy: -73.696338
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -202.825632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.825632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.825632 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -69.474
Base-Backbone interact. energy: 1.241
local terms energy: -68.687813
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.137
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: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -141.717434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.717434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.717434 (E_RNA)
where:
Base-Base interactions energy: -81.290
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.077
local terms energy: -60.351036
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -173.860516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.860516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.860516 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.234
local terms energy: -64.970005
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -12.865
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: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -109.199525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.199525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.199525 (E_RNA)
where:
Base-Base interactions energy: -58.573
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.240
local terms energy: -50.386145
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -4.017
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: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -97.120994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120994 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.116
local terms energy: -63.128051
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -8.387
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: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -92.258184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.258184 (E_RNA)
where:
Base-Base interactions energy: -32.498
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.110
local terms energy: -59.650711
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -89.812388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.812388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.812388 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -30.959
Base-Backbone interact. energy: 0.926
local terms energy: -53.528530
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -5.089
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: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -228.218389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218389 (E_RNA)
where:
Base-Base interactions energy: -149.078
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.192
local terms energy: -78.947868
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -234.166860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.166860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.166860 (E_RNA)
where:
Base-Base interactions energy: -145.730
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.005
local terms energy: -88.432488
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -217.185653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185653 (E_RNA)
where:
Base-Base interactions energy: -147.086
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.209
local terms energy: -69.890217
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -14.101
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -190.903132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.903132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.903132 (E_RNA)
where:
Base-Base interactions energy: -122.466
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.121
local terms energy: -68.316078
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -177.805640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.805640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.805640 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -54.855
Base-Backbone interact. energy: -0.050
local terms energy: -72.482696
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -123.024741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.024741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.024741 (E_RNA)
where:
Base-Base interactions energy: -54.827
where: short stacking energy: -39.159
Base-Backbone interact. energy: -0.005
local terms energy: -68.193125
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -99.590546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.590546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.590546 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.184
local terms energy: -55.964106
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -8.518
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -96.413210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.413210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.413210 (E_RNA)
where:
Base-Base interactions energy: -54.637
where: short stacking energy: -22.250
Base-Backbone interact. energy: 0.740
local terms energy: -42.516395
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -93.545504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.545504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.545504 (E_RNA)
where:
Base-Base interactions energy: -35.193
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.135
local terms energy: -58.217032
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -4.625
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: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -89.190482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.190482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.190482 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -30.321
Base-Backbone interact. energy: -0.131
local terms energy: -58.737814
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -216.564759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.564759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.564759 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.166
local terms energy: -72.211036
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -218.680175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.680175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.680175 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -68.712
Base-Backbone interact. energy: -1.000
local terms energy: -76.699419
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -211.206671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206671 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.679
local terms energy: -80.893984
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -191.181525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.181525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.181525 (E_RNA)
where:
Base-Base interactions energy: -125.329
where: short stacking energy: -65.465
Base-Backbone interact. energy: -0.444
local terms energy: -65.408069
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -203.027309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.027309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.027309 (E_RNA)
where:
Base-Base interactions energy: -122.291
where: short stacking energy: -72.966
Base-Backbone interact. energy: -0.699
local terms energy: -80.037573
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -128.990249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.990249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.990249 (E_RNA)
where:
Base-Base interactions energy: -66.611
where: short stacking energy: -33.041
Base-Backbone interact. energy: -1.128
local terms energy: -61.252102
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -115.547967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.547967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.547967 (E_RNA)
where:
Base-Base interactions energy: -49.446
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.305
local terms energy: -65.796901
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -90.319146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.319146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.319146 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.193
local terms energy: -57.680631
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -116.021831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.021831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.021831 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -34.493
Base-Backbone interact. energy: 0.571
local terms energy: -63.101436
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -85.632160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.632160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.632160 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -27.964
Base-Backbone interact. energy: 0.304
local terms energy: -57.972768
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -5.287
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: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -229.303263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.303263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.303263 (E_RNA)
where:
Base-Base interactions energy: -149.197
where: short stacking energy: -76.181
Base-Backbone interact. energy: -0.193
local terms energy: -79.913913
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -8.735
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: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -214.314669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.314669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.314669 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.079
local terms energy: -75.742186
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -185.981430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.981430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.981430 (E_RNA)
where:
Base-Base interactions energy: -112.558
where: short stacking energy: -65.973
Base-Backbone interact. energy: 0.426
local terms energy: -73.848995
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -13.276
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: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -217.306222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.306222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.306222 (E_RNA)
where:
Base-Base interactions energy: -135.979
where: short stacking energy: -77.023
Base-Backbone interact. energy: -0.088
local terms energy: -81.238894
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -193.523150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.523150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.523150 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.011
local terms energy: -69.787144
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -10.285
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -104.427252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.427252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.427252 (E_RNA)
where:
Base-Base interactions energy: -42.993
where: short stacking energy: -33.994
Base-Backbone interact. energy: -0.374
local terms energy: -61.059725
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -96.565265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.565265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.565265 (E_RNA)
where:
Base-Base interactions energy: -49.318
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.098
local terms energy: -47.148873
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -0.234
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -106.995857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.995857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.995857 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.061
local terms energy: -54.949837
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -5.612
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: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -93.274511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274511 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -30.170
Base-Backbone interact. energy: -1.215
local terms energy: -56.404994
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: 1.178
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: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -87.926708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.926708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.926708 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.211
local terms energy: -50.031310
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -226.475916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.475916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.475916 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.007
local terms energy: -78.148075
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -20.608
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: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -222.095025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.095025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.095025 (E_RNA)
where:
Base-Base interactions energy: -138.279
where: short stacking energy: -71.424
Base-Backbone interact. energy: -0.680
local terms energy: -83.135310
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -184.618297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.618297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.618297 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.234
local terms energy: -70.206355
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -13.971
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: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -211.197797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197797 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.855
local terms energy: -71.418657
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -183.079212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.079212 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.818
local terms energy: -74.495992
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -14.204
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: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -123.481321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.481321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.481321 (E_RNA)
where:
Base-Base interactions energy: -58.678
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.055
local terms energy: -64.747978
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -11.036
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: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -104.623577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.623577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.623577 (E_RNA)
where:
Base-Base interactions energy: -42.753
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.534
local terms energy: -61.336867
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -7.630
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: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -96.166214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166214 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -28.438
Base-Backbone interact. energy: -1.661
local terms energy: -57.430358
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -12.315
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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -84.090250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.090250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.090250 (E_RNA)
where:
Base-Base interactions energy: -27.700
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.343
local terms energy: -56.047185
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -2.903
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: 61
Temperature: 1.350000
Total energy: -89.187335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.187335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.187335 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.338
local terms energy: -54.576196
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -228.029626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.029626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.029626 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -71.837
Base-Backbone interact. energy: -0.119
local terms energy: -83.721452
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -14.458
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: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -220.286848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.286848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.286848 (E_RNA)
where:
Base-Base interactions energy: -145.617
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.237
local terms energy: -74.433431
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -15.556
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: 62
Temperature: 1.000000
Total energy: -206.677016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.677016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.677016 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.067
local terms energy: -75.775074
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -185.529001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.529001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.529001 (E_RNA)
where:
Base-Base interactions energy: -113.448
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.015
local terms energy: -72.065348
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -192.193733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.193733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.193733 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.490
local terms energy: -70.637036
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -106.984203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.984203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.984203 (E_RNA)
where:
Base-Base interactions energy: -44.712
where: short stacking energy: -44.712
Base-Backbone interact. energy: -0.086
local terms energy: -62.185869
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -4.794
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: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -98.022310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022310 (E_RNA)
where:
Base-Base interactions energy: -32.496
where: short stacking energy: -31.729
Base-Backbone interact. energy: 0.703
local terms energy: -66.229622
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -109.558031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.558031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.558031 (E_RNA)
where:
Base-Base interactions energy: -41.877
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.235
local terms energy: -67.446354
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -3.873
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -90.455796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.455796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.455796 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -30.883
Base-Backbone interact. energy: -0.313
local terms energy: -49.117387
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -7.201
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: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -82.674535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.674535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.674535 (E_RNA)
where:
Base-Base interactions energy: -26.884
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.264
local terms energy: -55.526746
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -229.798685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.798685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.798685 (E_RNA)
where:
Base-Base interactions energy: -148.406
where: short stacking energy: -75.991
Base-Backbone interact. energy: -0.016
local terms energy: -81.376370
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -21.461
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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -221.320128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.320128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320128 (E_RNA)
where:
Base-Base interactions energy: -145.624
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.004
local terms energy: -75.692214
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -22.509
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: 63
Temperature: 1.000000
Total energy: -222.848233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.848233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.848233 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -69.459
Base-Backbone interact. energy: -1.524
local terms energy: -81.116012
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -190.690995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690995 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -68.487
Base-Backbone interact. energy: 0.652
local terms energy: -77.157816
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -18.057
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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -170.571116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.571116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.571116 (E_RNA)
where:
Base-Base interactions energy: -97.468
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.058
local terms energy: -73.045255
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -13.765
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: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -127.017146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.017146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.017146 (E_RNA)
where:
Base-Base interactions energy: -58.210
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.017
local terms energy: -68.790261
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.030
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: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -114.104510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.104510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.104510 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -42.419
Base-Backbone interact. energy: -0.077
local terms energy: -67.837507
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -104.349054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.349054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.349054 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -41.032
Base-Backbone interact. energy: -0.021
local terms energy: -53.389402
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -86.904821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.904821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.904821 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -32.914
Base-Backbone interact. energy: -1.352
local terms energy: -52.638609
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.525676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525676 (E_RNA)
where:
Base-Base interactions energy: -41.193
where: short stacking energy: -31.208
Base-Backbone interact. energy: 1.979
local terms energy: -46.311876
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -228.979712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.979712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.979712 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -75.019
Base-Backbone interact. energy: 1.488
local terms energy: -89.700645
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -20.825
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: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -212.200087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.200087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.200087 (E_RNA)
where:
Base-Base interactions energy: -130.776
where: short stacking energy: -77.058
Base-Backbone interact. energy: -0.028
local terms energy: -81.396255
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -226.743214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.743214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.743214 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -83.983
Base-Backbone interact. energy: -0.023
local terms energy: -85.310274
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -195.652052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.652052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.652052 (E_RNA)
where:
Base-Base interactions energy: -118.570
where: short stacking energy: -74.219
Base-Backbone interact. energy: 0.030
local terms energy: -77.112549
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -112.326450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.326450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.326450 (E_RNA)
where:
Base-Base interactions energy: -50.678
where: short stacking energy: -37.465
Base-Backbone interact. energy: -0.511
local terms energy: -61.137641
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.697
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -171.182860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.182860 (E_RNA)
where:
Base-Base interactions energy: -105.019
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.132
local terms energy: -66.031939
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -108.871161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.871161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.871161 (E_RNA)
where:
Base-Base interactions energy: -45.734
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.022
local terms energy: -63.115008
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -100.663013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663013 (E_RNA)
where:
Base-Base interactions energy: -42.270
where: short stacking energy: -36.462
Base-Backbone interact. energy: 1.390
local terms energy: -59.782750
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -93.080791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.080791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.080791 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.231
local terms energy: -54.638718
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -78.809570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.809570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.809570 (E_RNA)
where:
Base-Base interactions energy: -19.832
where: short stacking energy: -19.832
Base-Backbone interact. energy: 0.480
local terms energy: -59.457768
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -223.880793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.880793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.880793 (E_RNA)
where:
Base-Base interactions energy: -146.371
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.033
local terms energy: -77.476845
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -221.371351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.371351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.371351 (E_RNA)
where:
Base-Base interactions energy: -145.983
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.300
local terms energy: -75.088889
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -223.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321210 (E_RNA)
where:
Base-Base interactions energy: -146.092
where: short stacking energy: -79.465
Base-Backbone interact. energy: -0.022
local terms energy: -77.207353
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -19.457
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -189.283586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283586 (E_RNA)
where:
Base-Base interactions energy: -112.540
where: short stacking energy: -64.777
Base-Backbone interact. energy: 0.130
local terms energy: -76.873383
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -16.543
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: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -123.627300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.627300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.627300 (E_RNA)
where:
Base-Base interactions energy: -65.466
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.250
local terms energy: -57.911420
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: 1.229
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: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -175.566578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.566578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.566578 (E_RNA)
where:
Base-Base interactions energy: -107.602
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.266
local terms energy: -67.698359
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -110.853332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.853332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.853332 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -43.946
Base-Backbone interact. energy: 1.525
local terms energy: -65.458990
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -9.332
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: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -117.629200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.629200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.629200 (E_RNA)
where:
Base-Base interactions energy: -54.596
where: short stacking energy: -44.836
Base-Backbone interact. energy: 0.969
local terms energy: -64.002266
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -8.518
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: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -90.427065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.427065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.427065 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.513
local terms energy: -54.471574
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -1.516
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: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.802329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802329 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -25.079
Base-Backbone interact. energy: -0.749
local terms energy: -46.117604
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -7.135
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: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -225.188905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.188905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.188905 (E_RNA)
where:
Base-Base interactions energy: -141.225
where: short stacking energy: -74.054
Base-Backbone interact. energy: -0.530
local terms energy: -83.434515
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -21.347
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -224.443159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.443159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.443159 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.008
local terms energy: -79.801922
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.163
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: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -218.042184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.042184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.042184 (E_RNA)
where:
Base-Base interactions energy: -139.200
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.308
local terms energy: -78.533551
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.298
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: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -202.400506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.400506 (E_RNA)
where:
Base-Base interactions energy: -123.971
where: short stacking energy: -68.518
Base-Backbone interact. energy: 0.231
local terms energy: -78.661089
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -169.347928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.347928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.347928 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.060
local terms energy: -70.395333
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -150.990215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.990215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990215 (E_RNA)
where:
Base-Base interactions energy: -91.046
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.001
local terms energy: -59.943851
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -95.071026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.071026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.071026 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.205
local terms energy: -55.964706
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -144.384679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.384679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.384679 (E_RNA)
where:
Base-Base interactions energy: -89.613
where: short stacking energy: -52.612
Base-Backbone interact. energy: 0.033
local terms energy: -54.804595
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -94.290261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.290261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.290261 (E_RNA)
where:
Base-Base interactions energy: -41.806
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.183
local terms energy: -52.301087
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -83.427913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.427913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.427913 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -30.816
Base-Backbone interact. energy: 1.017
local terms energy: -52.391927
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -234.845317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.845317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.845317 (E_RNA)
where:
Base-Base interactions energy: -150.736
where: short stacking energy: -83.780
Base-Backbone interact. energy: -0.762
local terms energy: -83.346899
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -218.933986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.933986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.933986 (E_RNA)
where:
Base-Base interactions energy: -143.396
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.100
local terms energy: -75.438592
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -199.755721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.755721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.755721 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.050
local terms energy: -73.646720
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -213.679780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679780 (E_RNA)
where:
Base-Base interactions energy: -137.608
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.000
local terms energy: -76.071532
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -19.615
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -182.200718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200718 (E_RNA)
where:
Base-Base interactions energy: -106.458
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.031
local terms energy: -75.711496
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -140.921597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.921597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.921597 (E_RNA)
where:
Base-Base interactions energy: -82.848
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.122
local terms energy: -57.951698
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -0.509
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: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -100.459419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.459419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.459419 (E_RNA)
where:
Base-Base interactions energy: -42.141
where: short stacking energy: -42.055
Base-Backbone interact. energy: 0.230
local terms energy: -58.547953
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -8.664
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: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -118.726158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.726158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.726158 (E_RNA)
where:
Base-Base interactions energy: -67.025
where: short stacking energy: -41.341
Base-Backbone interact. energy: -0.517
local terms energy: -51.184807
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -95.887188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.887188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.887188 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -29.564
Base-Backbone interact. energy: -1.153
local terms energy: -46.825805
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -4.564
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -100.393416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.393416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.393416 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -39.656
Base-Backbone interact. energy: -0.011
local terms energy: -56.327947
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -249.003288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.003288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.003288 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -91.425
Base-Backbone interact. energy: -0.230
local terms energy: -90.994951
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -26.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -229.295654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.295654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.295654 (E_RNA)
where:
Base-Base interactions energy: -147.797
where: short stacking energy: -81.216
Base-Backbone interact. energy: -0.071
local terms energy: -81.427566
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -225.251843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.251843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.251843 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.007
local terms energy: -78.510681
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -188.586718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.586718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.586718 (E_RNA)
where:
Base-Base interactions energy: -118.966
where: short stacking energy: -64.905
Base-Backbone interact. energy: 0.040
local terms energy: -69.661459
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -178.672181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.672181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.672181 (E_RNA)
where:
Base-Base interactions energy: -104.342
where: short stacking energy: -57.036
Base-Backbone interact. energy: -0.709
local terms energy: -73.621346
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -136.883409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.883409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.883409 (E_RNA)
where:
Base-Base interactions energy: -74.310
where: short stacking energy: -44.384
Base-Backbone interact. energy: 0.243
local terms energy: -62.816710
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -11.542
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -107.632721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.632721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.632721 (E_RNA)
where:
Base-Base interactions energy: -55.146
where: short stacking energy: -39.338
Base-Backbone interact. energy: -1.021
local terms energy: -51.465432
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -1.560
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -95.261999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261999 (E_RNA)
where:
Base-Base interactions energy: -37.023
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.151
local terms energy: -58.088491
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -85.065124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.065124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.065124 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -27.796
Base-Backbone interact. energy: -0.190
local terms energy: -53.221639
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -86.767597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767597 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -30.465
Base-Backbone interact. energy: 0.876
local terms energy: -53.246309
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -240.204078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.204078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.204078 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -89.468
Base-Backbone interact. energy: -0.005
local terms energy: -84.034113
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -8.876
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: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -226.019468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.019468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.019468 (E_RNA)
where:
Base-Base interactions energy: -144.581
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.023
local terms energy: -81.415362
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -11.892
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: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -206.724029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.724029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.724029 (E_RNA)
where:
Base-Base interactions energy: -132.378
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.012
local terms energy: -74.333899
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -16.348
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: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -204.909349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.909349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.909349 (E_RNA)
where:
Base-Base interactions energy: -137.433
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.005
local terms energy: -67.471714
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -193.213669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.213669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.213669 (E_RNA)
where:
Base-Base interactions energy: -114.992
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.165
local terms energy: -78.056566
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -135.842167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.842167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.842167 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.267
local terms energy: -65.165983
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -105.875544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.875544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.875544 (E_RNA)
where:
Base-Base interactions energy: -43.106
where: short stacking energy: -43.106
Base-Backbone interact. energy: -0.001
local terms energy: -62.768275
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -88.615097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615097 (E_RNA)
where:
Base-Base interactions energy: -24.440
where: short stacking energy: -23.158
Base-Backbone interact. energy: -0.090
local terms energy: -64.085366
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -7.501
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.511431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511431 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -30.321
Base-Backbone interact. energy: 0.006
local terms energy: -60.192202
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -11.659
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: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -77.489604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.489604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.489604 (E_RNA)
where:
Base-Base interactions energy: -27.807
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.085
local terms energy: -49.597535
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -223.407341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.407341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.407341 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -70.701
Base-Backbone interact. energy: -0.017
local terms energy: -74.661905
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -13.944
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -220.645905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645905 (E_RNA)
where:
Base-Base interactions energy: -135.981
where: short stacking energy: -67.498
Base-Backbone interact. energy: 2.083
local terms energy: -86.748143
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -12.647
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: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -229.536415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.536415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.536415 (E_RNA)
where:
Base-Base interactions energy: -157.959
where: short stacking energy: -70.004
Base-Backbone interact. energy: -0.297
local terms energy: -71.280341
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.126
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: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -198.346926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346926 (E_RNA)
where:
Base-Base interactions energy: -124.725
where: short stacking energy: -68.439
Base-Backbone interact. energy: -0.002
local terms energy: -73.619202
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -9.647
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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -177.860629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.860629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.860629 (E_RNA)
where:
Base-Base interactions energy: -111.746
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.124
local terms energy: -65.990889
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -130.866171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.866171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.866171 (E_RNA)
where:
Base-Base interactions energy: -74.830
where: short stacking energy: -26.497
Base-Backbone interact. energy: -0.181
local terms energy: -55.855320
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -101.552021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.552021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.552021 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.009
local terms energy: -58.543772
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -90.252310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252310 (E_RNA)
where:
Base-Base interactions energy: -35.241
where: short stacking energy: -25.117
Base-Backbone interact. energy: -0.667
local terms energy: -54.344581
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -94.415288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.415288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.415288 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -32.872
Base-Backbone interact. energy: -2.082
local terms energy: -55.885345
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -73.514195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.514195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.514195 (E_RNA)
where:
Base-Base interactions energy: -22.378
where: short stacking energy: -18.362
Base-Backbone interact. energy: -0.557
local terms energy: -50.578709
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: 3.671
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -224.073358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.073358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.073358 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.214
local terms energy: -74.298195
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -16.231
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: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -217.128119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.128119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.128119 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.321
local terms energy: -75.904169
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.628
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: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -223.261405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.261405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261405 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.005
local terms energy: -86.400602
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -199.497417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.497417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.497417 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -67.951
Base-Backbone interact. energy: 1.540
local terms energy: -78.343543
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -204.732345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.732345 (E_RNA)
where:
Base-Base interactions energy: -131.037
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.646
local terms energy: -73.049312
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.525
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: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -105.649888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.649888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.649888 (E_RNA)
where:
Base-Base interactions energy: -51.351
where: short stacking energy: -37.753
Base-Backbone interact. energy: -0.788
local terms energy: -53.510419
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -2.080
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: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -132.100425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.100425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.100425 (E_RNA)
where:
Base-Base interactions energy: -87.098
where: short stacking energy: -34.296
Base-Backbone interact. energy: -1.099
local terms energy: -43.903659
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -6.105
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -107.663903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.663903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.663903 (E_RNA)
where:
Base-Base interactions energy: -56.332
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.767
local terms energy: -50.564980
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -92.403951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403951 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -35.442
Base-Backbone interact. energy: -0.295
local terms energy: -55.234301
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -5.398
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -88.111070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.111070 (E_RNA)
where:
Base-Base interactions energy: -42.268
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.063
local terms energy: -45.779716
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -2.526
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: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -231.252294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.252294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.252294 (E_RNA)
where:
Base-Base interactions energy: -153.051
where: short stacking energy: -73.266
Base-Backbone interact. energy: -0.025
local terms energy: -78.176234
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.635533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.635533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.635533 (E_RNA)
where:
Base-Base interactions energy: -157.209
where: short stacking energy: -82.991
Base-Backbone interact. energy: 0.017
local terms energy: -72.442954
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -14.871
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: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -217.229478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.229478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.229478 (E_RNA)
where:
Base-Base interactions energy: -138.058
where: short stacking energy: -81.185
Base-Backbone interact. energy: -0.008
local terms energy: -79.163846
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -26.022
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: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -209.186263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.186263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.186263 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.014
local terms energy: -80.000731
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -21.461
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: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -214.418966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.418966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.418966 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -74.413
Base-Backbone interact. energy: -0.113
local terms energy: -70.633513
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -110.082863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.082863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.082863 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.349
local terms energy: -56.627388
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -1.714
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: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -103.691769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.691769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.691769 (E_RNA)
where:
Base-Base interactions energy: -52.372
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.149
local terms energy: -51.170580
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -101.626375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.626375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.626375 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -30.603
Base-Backbone interact. energy: -1.654
local terms energy: -64.507476
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -110.240586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.240586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.240586 (E_RNA)
where:
Base-Base interactions energy: -54.026
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.091
local terms energy: -56.123556
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -8.508
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: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -81.096413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096413 (E_RNA)
where:
Base-Base interactions energy: -32.651
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.598
local terms energy: -47.847635
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -5.799
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -8.736
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: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -225.119228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.119228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.119228 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -82.401
Base-Backbone interact. energy: -0.008
local terms energy: -75.638651
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -223.624965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624965 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -74.464
Base-Backbone interact. energy: -0.005
local terms energy: -84.523317
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -15.875
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -202.688364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.688364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.688364 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.422
local terms energy: -70.370120
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -182.051748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.051748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.051748 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -58.363
Base-Backbone interact. energy: -0.201
local terms energy: -76.962724
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -17.680
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: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -186.193622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.193622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.193622 (E_RNA)
where:
Base-Base interactions energy: -116.160
where: short stacking energy: -63.612
Base-Backbone interact. energy: 0.117
local terms energy: -70.150241
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -15.532
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: 73
Temperature: 1.150000
Total energy: -108.579075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.579075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.579075 (E_RNA)
where:
Base-Base interactions energy: -48.930
where: short stacking energy: -36.034
Base-Backbone interact. energy: -0.200
local terms energy: -59.448533
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -12.263
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -116.515370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.515370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.515370 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -48.335
Base-Backbone interact. energy: -0.248
local terms energy: -63.221251
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -101.443795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.443795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.443795 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.044
local terms energy: -58.231560
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -6.768
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: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -94.228749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.228749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.228749 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -38.148
Base-Backbone interact. energy: 0.365
local terms energy: -56.445982
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -4.591
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -94.893871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.893871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.893871 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.084
local terms energy: -53.074737
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -219.453398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.453398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.453398 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.068
local terms energy: -77.919428
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -15.552
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -223.307459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.307459 (E_RNA)
where:
Base-Base interactions energy: -149.213
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.990
local terms energy: -73.104451
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -197.464857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.464857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.464857 (E_RNA)
where:
Base-Base interactions energy: -129.101
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.178
local terms energy: -68.186225
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -14.936
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: 74
Temperature: 1.050000
Total energy: -177.684147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.684147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.684147 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.445
local terms energy: -65.787199
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -177.570466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.570466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.570466 (E_RNA)
where:
Base-Base interactions energy: -112.186
where: short stacking energy: -59.376
Base-Backbone interact. energy: -0.145
local terms energy: -65.240148
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -116.656805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.656805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.656805 (E_RNA)
where:
Base-Base interactions energy: -70.332
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.039
local terms energy: -46.285142
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -5.695
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: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -98.239980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239980 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.061
local terms energy: -60.441035
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -109.328455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.328455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.328455 (E_RNA)
where:
Base-Base interactions energy: -43.909
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.202
local terms energy: -65.217010
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -8.522
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: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -92.493663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.493663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.493663 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -29.607
Base-Backbone interact. energy: -0.062
local terms energy: -59.714641
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -88.230290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230290 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -38.085
Base-Backbone interact. energy: -0.230
local terms energy: -49.104065
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -223.998922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.998922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.998922 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.001
local terms energy: -80.739460
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -13.113
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: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -214.491516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491516 (E_RNA)
where:
Base-Base interactions energy: -138.200
where: short stacking energy: -65.955
Base-Backbone interact. energy: -0.176
local terms energy: -76.115601
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -214.922053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.922053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.922053 (E_RNA)
where:
Base-Base interactions energy: -134.124
where: short stacking energy: -75.031
Base-Backbone interact. energy: -0.587
local terms energy: -80.210955
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -9.965
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -174.083318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.083318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.083318 (E_RNA)
where:
Base-Base interactions energy: -96.929
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.052
local terms energy: -77.102972
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -222.375192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.375192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.375192 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.167
local terms energy: -86.998236
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -133.052291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.052291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.052291 (E_RNA)
where:
Base-Base interactions energy: -75.940
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.338
local terms energy: -56.773964
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -1.867
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -102.614377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.614377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.614377 (E_RNA)
where:
Base-Base interactions energy: -52.228
where: short stacking energy: -52.228
Base-Backbone interact. energy: 0.549
local terms energy: -50.935950
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -4.888
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -9.245
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: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -102.641503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.641503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.641503 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -37.952
Base-Backbone interact. energy: -0.015
local terms energy: -64.151542
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -15.404
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: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -92.317219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.317219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.317219 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.012
local terms energy: -53.294454
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -3.276
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: 75
Temperature: 1.350000
Total energy: -79.922935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922935 (E_RNA)
where:
Base-Base interactions energy: -16.277
where: short stacking energy: -16.001
Base-Backbone interact. energy: -0.123
local terms energy: -63.522988
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -8.200
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: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -221.590543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590543 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.091
local terms energy: -72.771569
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -16.681
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: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -204.912547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.912547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.912547 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -66.547
Base-Backbone interact. energy: 0.172
local terms energy: -75.028104
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -17.826
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: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -227.056786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.056786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.056786 (E_RNA)
where:
Base-Base interactions energy: -147.687
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.625
local terms energy: -78.745498
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -183.913584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913584 (E_RNA)
where:
Base-Base interactions energy: -110.415
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.294
local terms energy: -73.204834
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -208.435443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.435443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.435443 (E_RNA)
where:
Base-Base interactions energy: -134.762
where: short stacking energy: -72.779
Base-Backbone interact. energy: -0.724
local terms energy: -72.948668
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -141.614768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.614768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.614768 (E_RNA)
where:
Base-Base interactions energy: -82.443
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.194
local terms energy: -58.976965
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -107.806627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.806627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.806627 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.124
local terms energy: -68.342229
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -8.448
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: 76
Temperature: 1.250000
Total energy: -95.247197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247197 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.215
local terms energy: -54.940747
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.312674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.312674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.312674 (E_RNA)
where:
Base-Base interactions energy: -32.891
where: short stacking energy: -27.045
Base-Backbone interact. energy: -0.237
local terms energy: -47.185020
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: 3.561
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: 76
Temperature: 1.350000
Total energy: -105.245429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.245429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.245429 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.014
local terms energy: -66.190506
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -6.138
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -220.667725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.667725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.667725 (E_RNA)
where:
Base-Base interactions energy: -147.252
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.199
local terms energy: -73.216606
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.358
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: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -211.023650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.023650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.023650 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.024
local terms energy: -79.297351
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.688
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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -215.450876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.450876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.450876 (E_RNA)
where:
Base-Base interactions energy: -136.917
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.012
local terms energy: -78.521480
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -21.982
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: 77
Temperature: 1.050000
Total energy: -213.803522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.803522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803522 (E_RNA)
where:
Base-Base interactions energy: -139.648
where: short stacking energy: -77.083
Base-Backbone interact. energy: -0.503
local terms energy: -73.652785
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -179.380768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.380768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.380768 (E_RNA)
where:
Base-Base interactions energy: -107.305
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.001
local terms energy: -72.075088
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -16.226
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: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -166.889608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.889608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.889608 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.236
local terms energy: -69.121903
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -103.080929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.080929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.080929 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.005
local terms energy: -58.714796
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -92.488137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.488137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.488137 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.026
local terms energy: -56.516552
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.136
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: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -100.694196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.694196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.694196 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -34.562
Base-Backbone interact. energy: 1.831
local terms energy: -58.807124
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -2.887
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: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -100.951464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.951464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.951464 (E_RNA)
where:
Base-Base interactions energy: -53.777
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.242
local terms energy: -46.933098
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -7.331
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: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -230.713467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.713467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.713467 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.050
local terms energy: -86.486903
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -19.854
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -218.139029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.139029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.139029 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.086
local terms energy: -80.413640
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -17.282
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: 78
Temperature: 1.000000
Total energy: -213.120972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.120972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.120972 (E_RNA)
where:
Base-Base interactions energy: -136.968
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.042
local terms energy: -76.111214
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -212.680270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.680270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.680270 (E_RNA)
where:
Base-Base interactions energy: -134.456
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.090
local terms energy: -78.134289
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -18.883
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: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -182.541749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.541749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.541749 (E_RNA)
where:
Base-Base interactions energy: -103.817
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.096
local terms energy: -78.628863
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -16.710
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: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -189.393807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393807 (E_RNA)
where:
Base-Base interactions energy: -121.747
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.416
local terms energy: -67.230335
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -97.925804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.925804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.925804 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.019
local terms energy: -64.701738
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.265
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: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.943031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.943031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.943031 (E_RNA)
where:
Base-Base interactions energy: -58.625
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.357
local terms energy: -44.961291
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -3.048
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: 78
Temperature: 1.300000
Total energy: -94.045275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.045275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.045275 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -33.811
Base-Backbone interact. energy: -0.054
local terms energy: -57.077755
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -7.714
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: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -84.078135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078135 (E_RNA)
where:
Base-Base interactions energy: -45.914
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.407
local terms energy: -37.757019
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -1.290
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -228.909195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.909195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.909195 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -82.149
Base-Backbone interact. energy: -0.131
local terms energy: -75.177969
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -19.988
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: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -222.473575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.473575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.473575 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -74.835
Base-Backbone interact. energy: -0.013
local terms energy: -76.412894
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -218.405286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.405286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.405286 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.676
local terms energy: -78.020854
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.130
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: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -203.151755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151755 (E_RNA)
where:
Base-Base interactions energy: -129.102
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.046
local terms energy: -74.003853
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -177.959658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959658 (E_RNA)
where:
Base-Base interactions energy: -108.962
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.487
local terms energy: -68.510866
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -167.826044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.826044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.826044 (E_RNA)
where:
Base-Base interactions energy: -108.943
where: short stacking energy: -45.805
Base-Backbone interact. energy: 1.461
local terms energy: -60.344784
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -11.705
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: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -102.620821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.620821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.620821 (E_RNA)
where:
Base-Base interactions energy: -44.013
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.249
local terms energy: -58.358516
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.244
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: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -95.439750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439750 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.127
local terms energy: -59.216212
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -87.230136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230136 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.063
local terms energy: -50.345972
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.290
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: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -91.705742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705742 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.003
local terms energy: -58.148747
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -5.103
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: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -224.069406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.069406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.069406 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.097
local terms energy: -72.494028
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -224.133345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133345 (E_RNA)
where:
Base-Base interactions energy: -145.763
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.005
local terms energy: -78.365485
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.766
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -203.969779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.969779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.969779 (E_RNA)
where:
Base-Base interactions energy: -133.948
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.018
local terms energy: -70.004176
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -209.107334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107334 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.003
local terms energy: -81.165630
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -22.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -200.391233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.391233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.391233 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -73.774
Base-Backbone interact. energy: -0.126
local terms energy: -73.416952
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -176.968589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.968589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.968589 (E_RNA)
where:
Base-Base interactions energy: -102.145
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.296
local terms energy: -74.527732
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.100
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: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -98.212853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.212853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.212853 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -49.065
Base-Backbone interact. energy: -0.115
local terms energy: -49.033271
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -92.890702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890702 (E_RNA)
where:
Base-Base interactions energy: -45.759
where: short stacking energy: -33.412
Base-Backbone interact. energy: -0.123
local terms energy: -47.008567
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -6.773
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: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.324930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324930 (E_RNA)
where:
Base-Base interactions energy: -40.965
where: short stacking energy: -40.965
Base-Backbone interact. energy: 1.304
local terms energy: -56.664165
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -82.217067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.217067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.217067 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -32.729
Base-Backbone interact. energy: -0.379
local terms energy: -49.109287
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -224.527982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.527982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.527982 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -72.284
Base-Backbone interact. energy: 0.255
local terms energy: -74.427144
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -10.446
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: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -217.032343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.032343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.032343 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -70.234
Base-Backbone interact. energy: 1.543
local terms energy: -80.068042
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -20.690
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: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -211.315435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.315435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.315435 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.154
local terms energy: -62.608280
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -201.168283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168283 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.046
local terms energy: -71.556390
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -13.902
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -186.060397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.060397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.060397 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.095
local terms energy: -57.069075
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -110.222893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.222893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.222893 (E_RNA)
where:
Base-Base interactions energy: -52.131
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.305
local terms energy: -57.787217
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -4.193
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: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -174.077630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.077630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.077630 (E_RNA)
where:
Base-Base interactions energy: -104.031
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.001
local terms energy: -70.045553
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -15.374
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: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -93.476500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476500 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -30.050
Base-Backbone interact. energy: -0.311
local terms energy: -48.810703
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -7.610
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -93.287302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287302 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.319
local terms energy: -64.370335
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -1.316
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: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -93.515609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.515609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.515609 (E_RNA)
where:
Base-Base interactions energy: -29.795
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.014
local terms energy: -63.706616
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.453
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: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -226.063590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063590 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -80.284
Base-Backbone interact. energy: 0.792
local terms energy: -84.524226
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -26.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -219.935012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.935012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.935012 (E_RNA)
where:
Base-Base interactions energy: -139.629
where: short stacking energy: -73.695
Base-Backbone interact. energy: -0.002
local terms energy: -80.303814
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -211.399444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.399444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.399444 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.185
local terms energy: -70.524530
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.684
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: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -219.934014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.934014 (E_RNA)
where:
Base-Base interactions energy: -141.773
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.019
local terms energy: -78.142756
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -195.897624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897624 (E_RNA)
where:
Base-Base interactions energy: -125.913
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.095
local terms energy: -69.890490
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -16.540
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: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -141.830245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.830245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.830245 (E_RNA)
where:
Base-Base interactions energy: -79.186
where: short stacking energy: -41.179
Base-Backbone interact. energy: 2.822
local terms energy: -65.465934
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -163.781242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.781242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.781242 (E_RNA)
where:
Base-Base interactions energy: -95.178
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.074
local terms energy: -68.528807
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -11.311
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -93.249863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.249863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.249863 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -31.948
Base-Backbone interact. energy: 1.227
local terms energy: -53.043717
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -101.106875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.106875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.106875 (E_RNA)
where:
Base-Base interactions energy: -47.570
where: short stacking energy: -36.811
Base-Backbone interact. energy: -0.342
local terms energy: -53.194353
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -6.549
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: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -90.331594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331594 (E_RNA)
where:
Base-Base interactions energy: -45.545
where: short stacking energy: -32.457
Base-Backbone interact. energy: 0.097
local terms energy: -44.883806
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: 2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -236.444552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.444552 (E_RNA)
where:
Base-Base interactions energy: -146.326
where: short stacking energy: -86.998
Base-Backbone interact. energy: -0.443
local terms energy: -89.675600
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -24.919
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: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -211.725059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.725059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.725059 (E_RNA)
where:
Base-Base interactions energy: -140.026
where: short stacking energy: -77.534
Base-Backbone interact. energy: 0.237
local terms energy: -71.935949
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -224.133439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133439 (E_RNA)
where:
Base-Base interactions energy: -142.399
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.194
local terms energy: -81.540001
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -211.623701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.623701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.623701 (E_RNA)
where:
Base-Base interactions energy: -137.844
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.013
local terms energy: -73.766714
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -194.321523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.321523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.321523 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -71.901
Base-Backbone interact. energy: -0.222
local terms energy: -72.481568
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -10.081
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -178.444070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.444070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.444070 (E_RNA)
where:
Base-Base interactions energy: -108.777
where: short stacking energy: -58.885
Base-Backbone interact. energy: 1.160
local terms energy: -70.827821
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -141.430291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.430291 (E_RNA)
where:
Base-Base interactions energy: -76.288
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.261
local terms energy: -64.881875
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -115.791564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.791564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.791564 (E_RNA)
where:
Base-Base interactions energy: -60.130
where: short stacking energy: -25.441
Base-Backbone interact. energy: -0.813
local terms energy: -54.848312
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -91.862187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.862187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.862187 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -23.766
Base-Backbone interact. energy: 0.189
local terms energy: -58.144120
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -89.146767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.146767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.146767 (E_RNA)
where:
Base-Base interactions energy: -36.370
where: short stacking energy: -35.107
Base-Backbone interact. energy: -0.114
local terms energy: -52.663564
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -3.135
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: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -219.359409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.359409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.359409 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.002
local terms energy: -79.877421
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -19.136
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: 84
Temperature: 0.950000
Total energy: -217.371359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.371359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.371359 (E_RNA)
where:
Base-Base interactions energy: -143.318
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.708
local terms energy: -73.345671
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -215.142306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.142306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.142306 (E_RNA)
where:
Base-Base interactions energy: -134.501
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.010
local terms energy: -80.630948
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -20.949
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: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -205.423765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.423765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.423765 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -80.704
Base-Backbone interact. energy: 0.056
local terms energy: -67.083721
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -8.712
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: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -198.562855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.562855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562855 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.001
local terms energy: -82.313516
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -191.889563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.889563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.889563 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.624
local terms energy: -73.803026
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.756
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -126.461161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.461161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.461161 (E_RNA)
where:
Base-Base interactions energy: -71.549
where: short stacking energy: -48.254
Base-Backbone interact. energy: -0.382
local terms energy: -54.530631
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -10.211
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: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -94.209360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.209360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.209360 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -38.171
Base-Backbone interact. energy: -0.161
local terms energy: -55.877582
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -81.633741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.633741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.633741 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.139
local terms energy: -51.513501
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -84.647667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647667 (E_RNA)
where:
Base-Base interactions energy: -19.448
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.205
local terms energy: -64.995503
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -227.180365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.180365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.180365 (E_RNA)
where:
Base-Base interactions energy: -142.903
where: short stacking energy: -76.972
Base-Backbone interact. energy: -0.457
local terms energy: -83.819796
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -230.073781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.073781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.073781 (E_RNA)
where:
Base-Base interactions energy: -143.481
where: short stacking energy: -78.149
Base-Backbone interact. energy: -0.017
local terms energy: -86.575927
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -13.170
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -220.188561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.188561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.188561 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -71.917
Base-Backbone interact. energy: -0.399
local terms energy: -79.033284
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.602
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -206.450444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.450444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.450444 (E_RNA)
where:
Base-Base interactions energy: -129.208
where: short stacking energy: -75.880
Base-Backbone interact. energy: 0.146
local terms energy: -77.389045
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -11.009
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -202.585696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.585696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.585696 (E_RNA)
where:
Base-Base interactions energy: -123.660
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.241
local terms energy: -78.684596
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -186.221467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.221467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.221467 (E_RNA)
where:
Base-Base interactions energy: -125.501
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.246
local terms energy: -60.474799
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -15.212
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: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -99.567609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567609 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -36.886
Base-Backbone interact. energy: -1.500
local terms energy: -52.714666
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.488
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -137.461727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.461727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.461727 (E_RNA)
where:
Base-Base interactions energy: -78.720
where: short stacking energy: -30.919
Base-Backbone interact. energy: -1.332
local terms energy: -57.410373
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -6.959
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: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -90.761181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.761181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.761181 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.085
local terms energy: -55.361346
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -88.518175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518175 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.355
local terms energy: -51.907778
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -4.380
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: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -226.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.443930 (E_RNA)
where:
Base-Base interactions energy: -146.201
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.023
local terms energy: -80.219922
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.505
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: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -224.008929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.008929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.008929 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -72.045
Base-Backbone interact. energy: 0.739
local terms energy: -77.688108
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -216.171868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.171868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.171868 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -71.901
Base-Backbone interact. energy: -0.203
local terms energy: -82.229458
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -22.114
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: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -183.519307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.519307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.519307 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.087
local terms energy: -68.902020
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -216.125447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.125447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.125447 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.198
local terms energy: -74.108363
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -12.234
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: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -181.250126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.250126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.250126 (E_RNA)
where:
Base-Base interactions energy: -110.138
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.262
local terms energy: -70.849478
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -149.354949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.354949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.354949 (E_RNA)
where:
Base-Base interactions energy: -90.552
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.460
local terms energy: -58.343325
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.207
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -101.896288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.896288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.896288 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.817
local terms energy: -67.611059
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -98.831992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.831992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.831992 (E_RNA)
where:
Base-Base interactions energy: -38.146
where: short stacking energy: -23.914
Base-Backbone interact. energy: -0.057
local terms energy: -60.629140
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -84.805791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805791 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -31.365
Base-Backbone interact. energy: -1.233
local terms energy: -51.358926
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -246.284319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.284319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.284319 (E_RNA)
where:
Base-Base interactions energy: -167.838
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.081
local terms energy: -78.365353
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -221.563731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.563731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.563731 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -83.828
Base-Backbone interact. energy: -0.790
local terms energy: -84.090149
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -24.350
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: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -204.670679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.670679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.670679 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -60.650
Base-Backbone interact. energy: -1.030
local terms energy: -69.221834
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -12.290
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: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -196.820533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.820533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.820533 (E_RNA)
where:
Base-Base interactions energy: -117.806
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.078
local terms energy: -78.937413
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -187.894181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894181 (E_RNA)
where:
Base-Base interactions energy: -112.366
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.318
local terms energy: -75.210185
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -182.955511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.955511 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.205
local terms energy: -69.212936
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -121.245636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.245636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.245636 (E_RNA)
where:
Base-Base interactions energy: -65.531
where: short stacking energy: -35.986
Base-Backbone interact. energy: 0.080
local terms energy: -55.795104
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -101.513014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.513014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.513014 (E_RNA)
where:
Base-Base interactions energy: -46.693
where: short stacking energy: -41.188
Base-Backbone interact. energy: -0.284
local terms energy: -54.535417
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -112.956758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.956758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.956758 (E_RNA)
where:
Base-Base interactions energy: -55.376
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.204
local terms energy: -57.377213
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -8.280
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: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -87.320021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.320021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.320021 (E_RNA)
where:
Base-Base interactions energy: -36.678
where: short stacking energy: -33.216
Base-Backbone interact. energy: 0.546
local terms energy: -51.187965
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -4.581
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: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -238.000712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.000712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.000712 (E_RNA)
where:
Base-Base interactions energy: -149.938
where: short stacking energy: -85.136
Base-Backbone interact. energy: -0.858
local terms energy: -87.205681
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -241.070462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.070462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.070462 (E_RNA)
where:
Base-Base interactions energy: -164.011
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.096
local terms energy: -76.962879
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -234.279678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279678 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.516
local terms energy: -75.952678
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -18.401
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: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -200.074002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.074002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.074002 (E_RNA)
where:
Base-Base interactions energy: -125.633
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.107
local terms energy: -74.334055
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -211.481169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481169 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.933
local terms energy: -78.665527
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -181.081849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.081849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.081849 (E_RNA)
where:
Base-Base interactions energy: -119.290
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.016
local terms energy: -61.775519
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -118.466801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.466801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.466801 (E_RNA)
where:
Base-Base interactions energy: -52.153
where: short stacking energy: -40.670
Base-Backbone interact. energy: -0.123
local terms energy: -66.190464
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -97.263529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.263529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.263529 (E_RNA)
where:
Base-Base interactions energy: -41.929
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.009
local terms energy: -55.325436
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -11.243
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: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -99.824761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.824761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.824761 (E_RNA)
where:
Base-Base interactions energy: -44.788
where: short stacking energy: -44.788
Base-Backbone interact. energy: -0.088
local terms energy: -54.948825
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -103.673215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.673215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.673215 (E_RNA)
where:
Base-Base interactions energy: -45.453
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.086
local terms energy: -58.134594
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -9.997
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -240.031162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031162 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.012
local terms energy: -91.412214
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -13.615
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: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -222.957165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.957165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.957165 (E_RNA)
where:
Base-Base interactions energy: -142.411
where: short stacking energy: -72.226
Base-Backbone interact. energy: -1.902
local terms energy: -78.644751
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -20.220
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: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -213.897441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.897441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.897441 (E_RNA)
where:
Base-Base interactions energy: -140.129
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.075
local terms energy: -73.693204
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.654
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: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -188.629194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.629194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.629194 (E_RNA)
where:
Base-Base interactions energy: -120.995
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.633
local terms energy: -67.001205
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.183
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: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -193.389040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.389040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.389040 (E_RNA)
where:
Base-Base interactions energy: -124.578
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.166
local terms energy: -68.645039
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -170.246367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.246367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.246367 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -61.967
Base-Backbone interact. energy: 2.409
local terms energy: -63.575683
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -89.189731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189731 (E_RNA)
where:
Base-Base interactions energy: -33.966
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.266
local terms energy: -54.957395
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -108.470721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.470721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.470721 (E_RNA)
where:
Base-Base interactions energy: -45.512
where: short stacking energy: -43.586
Base-Backbone interact. energy: -0.959
local terms energy: -61.999370
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -84.167014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.167014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.167014 (E_RNA)
where:
Base-Base interactions energy: -26.987
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.074
local terms energy: -57.105654
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -5.729
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: 89
Temperature: 1.350000
Total energy: -108.304830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.304830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.304830 (E_RNA)
where:
Base-Base interactions energy: -53.283
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.287
local terms energy: -54.734394
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.953
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: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -229.763869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.763869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.763869 (E_RNA)
where:
Base-Base interactions energy: -137.665
where: short stacking energy: -75.827
Base-Backbone interact. energy: -0.729
local terms energy: -91.369172
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -12.579
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: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -219.395016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.395016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.395016 (E_RNA)
where:
Base-Base interactions energy: -139.348
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.804
local terms energy: -79.243494
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -211.790911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.790911 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.091
local terms energy: -79.732509
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -15.069
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: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -199.455634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.455634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.455634 (E_RNA)
where:
Base-Base interactions energy: -121.363
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.046
local terms energy: -78.047197
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -21.164
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: 90
Temperature: 1.100000
Total energy: -206.861788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.861788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.861788 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -78.232
Base-Backbone interact. energy: 0.028
local terms energy: -75.617233
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -169.068170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.068170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.068170 (E_RNA)
where:
Base-Base interactions energy: -100.040
where: short stacking energy: -57.028
Base-Backbone interact. energy: -0.244
local terms energy: -68.784038
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -14.053
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: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -131.266907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.266907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.266907 (E_RNA)
where:
Base-Base interactions energy: -60.462
where: short stacking energy: -60.462
Base-Backbone interact. energy: 0.005
local terms energy: -70.810432
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -100.865481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865481 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -45.424
Base-Backbone interact. energy: -0.067
local terms energy: -53.357214
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -87.535322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535322 (E_RNA)
where:
Base-Base interactions energy: -47.272
where: short stacking energy: -23.356
Base-Backbone interact. energy: -0.248
local terms energy: -40.014939
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: 2.002
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: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -90.883985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.883985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.883985 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.243
local terms energy: -46.483905
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -222.050860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.050860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.050860 (E_RNA)
where:
Base-Base interactions energy: -143.654
where: short stacking energy: -77.395
Base-Backbone interact. energy: -0.504
local terms energy: -77.892426
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -21.100
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -217.823487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.823487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.823487 (E_RNA)
where:
Base-Base interactions energy: -137.998
where: short stacking energy: -72.889
Base-Backbone interact. energy: -0.088
local terms energy: -79.737383
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -224.736557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736557 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.846
local terms energy: -83.549056
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -188.971271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.971271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.971271 (E_RNA)
where:
Base-Base interactions energy: -119.629
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.004
local terms energy: -69.338189
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -201.912967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.912967 (E_RNA)
where:
Base-Base interactions energy: -129.818
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.185
local terms energy: -71.910384
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -164.816474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.816474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.816474 (E_RNA)
where:
Base-Base interactions energy: -95.043
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.293
local terms energy: -69.480311
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -99.283170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.283170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.283170 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.105
local terms energy: -59.342257
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -6.579
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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -108.645204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.645204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.645204 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -25.591
Base-Backbone interact. energy: -0.729
local terms energy: -57.045825
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -3.913
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: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -90.884281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.884281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.884281 (E_RNA)
where:
Base-Base interactions energy: -37.612
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.952
local terms energy: -52.320564
where:
bonds (distance) C4'-P energy: -6.031
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -97.117118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.117118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.117118 (E_RNA)
where:
Base-Base interactions energy: -46.656
where: short stacking energy: -44.691
Base-Backbone interact. energy: -0.248
local terms energy: -50.212957
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -226.491786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.491786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.491786 (E_RNA)
where:
Base-Base interactions energy: -139.319
where: short stacking energy: -78.611
Base-Backbone interact. energy: -0.541
local terms energy: -86.632097
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -233.165684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.165684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.165684 (E_RNA)
where:
Base-Base interactions energy: -143.488
where: short stacking energy: -76.801
Base-Backbone interact. energy: -1.387
local terms energy: -88.291300
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -231.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.118084 (E_RNA)
where:
Base-Base interactions energy: -153.138
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.108
local terms energy: -77.872118
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -206.415592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.415592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.415592 (E_RNA)
where:
Base-Base interactions energy: -133.652
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.041
local terms energy: -72.722460
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -181.947429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.947429 (E_RNA)
where:
Base-Base interactions energy: -104.133
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.147
local terms energy: -77.668092
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -11.954
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: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -196.900407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.900407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.900407 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -65.832
Base-Backbone interact. energy: 0.588
local terms energy: -61.400490
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -94.296985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.296985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.296985 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.162
local terms energy: -60.955667
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -85.641203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641203 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -30.505
Base-Backbone interact. energy: 0.680
local terms energy: -49.914350
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -0.518
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: 92
Temperature: 1.300000
Total energy: -98.196224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.196224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.196224 (E_RNA)
where:
Base-Base interactions energy: -48.163
where: short stacking energy: -35.025
Base-Backbone interact. energy: -0.204
local terms energy: -49.829239
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -3.446
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: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -93.302671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302671 (E_RNA)
where:
Base-Base interactions energy: -43.251
where: short stacking energy: -22.306
Base-Backbone interact. energy: -0.819
local terms energy: -49.232147
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.542
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: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -226.932025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.932025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.932025 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -81.742
Base-Backbone interact. energy: -1.294
local terms energy: -88.844925
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -13.516
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: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -227.558327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.558327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.558327 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -78.232
Base-Backbone interact. energy: -1.056
local terms energy: -86.466222
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -24.043
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: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -209.939226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.939226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.939226 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.071
local terms energy: -72.133799
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -19.350
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: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -195.071333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.071333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.071333 (E_RNA)
where:
Base-Base interactions energy: -123.996
where: short stacking energy: -61.940
Base-Backbone interact. energy: 0.809
local terms energy: -71.883455
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -197.948668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.948668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.948668 (E_RNA)
where:
Base-Base interactions energy: -123.257
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.011
local terms energy: -74.679987
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -200.794817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.794817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.794817 (E_RNA)
where:
Base-Base interactions energy: -124.107
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.145
local terms energy: -76.542851
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -99.373849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373849 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -36.112
Base-Backbone interact. energy: -0.504
local terms energy: -59.851448
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -6.863
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: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -90.715252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715252 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -37.124
Base-Backbone interact. energy: 1.067
local terms energy: -53.344112
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -96.320036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.320036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.320036 (E_RNA)
where:
Base-Base interactions energy: -38.929
where: short stacking energy: -38.255
Base-Backbone interact. energy: 0.104
local terms energy: -57.495491
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -3.461
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: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -86.815540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815540 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -26.210
Base-Backbone interact. energy: 1.063
local terms energy: -56.695726
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -237.915896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.915896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.915896 (E_RNA)
where:
Base-Base interactions energy: -145.241
where: short stacking energy: -72.947
Base-Backbone interact. energy: -2.199
local terms energy: -90.476746
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -12.621
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -227.374672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.374672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.374672 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.014
local terms energy: -85.348375
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.764
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -216.755038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.755038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755038 (E_RNA)
where:
Base-Base interactions energy: -135.004
where: short stacking energy: -69.101
Base-Backbone interact. energy: -1.465
local terms energy: -80.285794
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -210.606168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.606168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.606168 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -68.221
Base-Backbone interact. energy: -0.235
local terms energy: -75.952903
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -190.687436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687436 (E_RNA)
where:
Base-Base interactions energy: -122.172
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.022
local terms energy: -68.493737
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -12.810
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -185.807550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.807550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807550 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -45.371
Base-Backbone interact. energy: -1.273
local terms energy: -67.379717
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -9.837
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: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -96.014870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.014870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.014870 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.124
local terms energy: -59.597789
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -8.165
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: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -103.048795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048795 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -42.109
Base-Backbone interact. energy: 0.657
local terms energy: -59.548517
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -10.332
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: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -84.714241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714241 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -23.507
Base-Backbone interact. energy: -0.278
local terms energy: -57.546042
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: 0.676
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: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -83.762190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762190 (E_RNA)
where:
Base-Base interactions energy: -39.370
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.288
local terms energy: -44.104134
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -2.476
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -226.111475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.111475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.111475 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -82.855
Base-Backbone interact. energy: -0.002
local terms energy: -78.463714
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.131
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -233.707246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.707246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.707246 (E_RNA)
where:
Base-Base interactions energy: -146.972
where: short stacking energy: -76.518
Base-Backbone interact. energy: -0.529
local terms energy: -86.206500
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -23.270
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -204.300006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.300006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.300006 (E_RNA)
where:
Base-Base interactions energy: -138.476
where: short stacking energy: -72.213
Base-Backbone interact. energy: -0.087
local terms energy: -65.737542
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -207.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255786 (E_RNA)
where:
Base-Base interactions energy: -135.699
where: short stacking energy: -58.729
Base-Backbone interact. energy: -1.303
local terms energy: -70.253639
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -186.359272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.359272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.359272 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -47.285
Base-Backbone interact. energy: -0.417
local terms energy: -62.094141
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -213.972821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.972821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.972821 (E_RNA)
where:
Base-Base interactions energy: -132.111
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.039
local terms energy: -81.823489
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -16.658
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: 95
Temperature: 1.200000
Total energy: -90.010229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.010229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.010229 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -30.567
Base-Backbone interact. energy: -1.358
local terms energy: -56.008101
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -9.096
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -101.447435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.447435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.447435 (E_RNA)
where:
Base-Base interactions energy: -40.721
where: short stacking energy: -39.447
Base-Backbone interact. energy: -0.337
local terms energy: -60.389820
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -8.857
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -96.174713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.174713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.174713 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.685
local terms energy: -54.812128
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -83.436098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436098 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.098
local terms energy: -45.920094
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -0.279
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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -227.344093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.344093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.344093 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.454
local terms energy: -80.489693
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -233.001933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.001933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.001933 (E_RNA)
where:
Base-Base interactions energy: -149.078
where: short stacking energy: -79.453
Base-Backbone interact. energy: -1.345
local terms energy: -82.579089
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -10.774
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -228.175139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.175139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.175139 (E_RNA)
where:
Base-Base interactions energy: -150.053
where: short stacking energy: -72.950
Base-Backbone interact. energy: -0.354
local terms energy: -77.767645
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -203.680383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.680383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.680383 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.587
local terms energy: -78.306005
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -201.131428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.131428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.131428 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -50.438
Base-Backbone interact. energy: -0.307
local terms energy: -71.841941
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.327
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: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -166.316088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.316088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.316088 (E_RNA)
where:
Base-Base interactions energy: -105.200
where: short stacking energy: -53.545
Base-Backbone interact. energy: -0.476
local terms energy: -60.640030
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -117.586772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.586772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.586772 (E_RNA)
where:
Base-Base interactions energy: -56.442
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.157
local terms energy: -60.987642
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -6.721
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -93.647224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.647224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.647224 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -28.315
Base-Backbone interact. energy: 0.489
local terms energy: -61.087989
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -102.158859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158859 (E_RNA)
where:
Base-Base interactions energy: -41.848
where: short stacking energy: -40.308
Base-Backbone interact. energy: -0.024
local terms energy: -60.287724
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -82.929597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929597 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.090
local terms energy: -52.857084
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: 1.870
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: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -240.040870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.040870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.040870 (E_RNA)
where:
Base-Base interactions energy: -151.342
where: short stacking energy: -86.482
Base-Backbone interact. energy: -0.584
local terms energy: -88.114364
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -14.977
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: 97
Temperature: 0.950000
Total energy: -214.657922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.657922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.657922 (E_RNA)
where:
Base-Base interactions energy: -132.969
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.435
local terms energy: -81.254163
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -224.241469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.241469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.241469 (E_RNA)
where:
Base-Base interactions energy: -146.395
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.126
local terms energy: -77.720249
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -200.136520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.136520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.136520 (E_RNA)
where:
Base-Base interactions energy: -128.300
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.174
local terms energy: -71.662556
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -201.698770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698770 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.080
local terms energy: -70.924829
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -165.490256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.490256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.490256 (E_RNA)
where:
Base-Base interactions energy: -101.418
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.073
local terms energy: -63.999497
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -110.648856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.648856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.648856 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.119
local terms energy: -69.459876
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -12.063
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -92.930634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.930634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.930634 (E_RNA)
where:
Base-Base interactions energy: -40.934
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.526
local terms energy: -51.471115
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -89.472190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.472190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.472190 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -28.638
Base-Backbone interact. energy: -0.570
local terms energy: -52.637415
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.841636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.841636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.841636 (E_RNA)
where:
Base-Base interactions energy: -23.710
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.314
local terms energy: -55.817030
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -4.904
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -232.897689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897689 (E_RNA)
where:
Base-Base interactions energy: -145.204
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.582
local terms energy: -87.111557
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.220
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: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -217.717356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.717356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717356 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.736
local terms energy: -75.328868
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -216.116714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.116714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.116714 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -80.510
Base-Backbone interact. energy: -0.139
local terms energy: -79.701127
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.637
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: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -206.547226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.547226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.547226 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.417
local terms energy: -79.460584
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -11.234
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: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -193.054399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.054399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.054399 (E_RNA)
where:
Base-Base interactions energy: -124.435
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.068
local terms energy: -68.551579
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -181.898394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898394 (E_RNA)
where:
Base-Base interactions energy: -109.536
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.001
local terms energy: -72.361801
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -140.718140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.718140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.718140 (E_RNA)
where:
Base-Base interactions energy: -77.326
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.094
local terms energy: -63.297966
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -95.949951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.949951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.949951 (E_RNA)
where:
Base-Base interactions energy: -41.463
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.098
local terms energy: -54.388366
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -8.549
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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -91.748108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748108 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.061
local terms energy: -55.253299
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -4.007
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: 98
Temperature: 1.350000
Total energy: -88.804283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804283 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -33.013
Base-Backbone interact. energy: 3.278
local terms energy: -59.069415
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -232.258104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.258104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258104 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -76.996
Base-Backbone interact. energy: -0.479
local terms energy: -84.990791
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -232.531300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.531300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.531300 (E_RNA)
where:
Base-Base interactions energy: -145.543
where: short stacking energy: -80.906
Base-Backbone interact. energy: -0.687
local terms energy: -86.300662
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -215.392823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.392823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.392823 (E_RNA)
where:
Base-Base interactions energy: -136.121
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.161
local terms energy: -79.110833
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -10.317
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: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -209.774658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.774658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.774658 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -68.951
Base-Backbone interact. energy: -0.050
local terms energy: -71.884351
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -209.801948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.801948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.801948 (E_RNA)
where:
Base-Base interactions energy: -138.675
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.078
local terms energy: -71.049610
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -18.131
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: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -188.092006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.092006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.092006 (E_RNA)
where:
Base-Base interactions energy: -117.007
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.063
local terms energy: -71.022243
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -145.184370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.184370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.184370 (E_RNA)
where:
Base-Base interactions energy: -78.414
where: short stacking energy: -41.140
Base-Backbone interact. energy: -0.839
local terms energy: -65.931903
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -84.066586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066586 (E_RNA)
where:
Base-Base interactions energy: -32.555
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.102
local terms energy: -51.409113
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: 1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -92.546066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.546066 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -37.091
Base-Backbone interact. energy: 0.320
local terms energy: -55.586470
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.167795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.167795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.167795 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -25.943
Base-Backbone interact. energy: 2.411
local terms energy: -48.947990
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -1.366
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -231.216980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216980 (E_RNA)
where:
Base-Base interactions energy: -146.813
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.219
local terms energy: -84.185820
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -215.718352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.718352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.718352 (E_RNA)
where:
Base-Base interactions energy: -134.772
where: short stacking energy: -72.353
Base-Backbone interact. energy: 0.786
local terms energy: -81.731993
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -210.161049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.161049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.161049 (E_RNA)
where:
Base-Base interactions energy: -137.580
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.653
local terms energy: -71.927216
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -200.644460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.644460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644460 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.128
local terms energy: -77.182179
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -199.360422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.360422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.360422 (E_RNA)
where:
Base-Base interactions energy: -117.794
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.132
local terms energy: -81.434974
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -196.507858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.507858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.507858 (E_RNA)
where:
Base-Base interactions energy: -126.024
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.263
local terms energy: -70.220669
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -144.616669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.616669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.616669 (E_RNA)
where:
Base-Base interactions energy: -82.755
where: short stacking energy: -52.217
Base-Backbone interact. energy: 0.547
local terms energy: -62.409148
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -13.416
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.022405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.022405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.022405 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.113
local terms energy: -54.711499
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -82.842664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842664 (E_RNA)
where:
Base-Base interactions energy: -36.996
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.724
local terms energy: -45.121892
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -5.245
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: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -96.233724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.233724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.233724 (E_RNA)
where:
Base-Base interactions energy: -43.022
where: short stacking energy: -38.743
Base-Backbone interact. energy: -0.350
local terms energy: -52.861675
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -5.618
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: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -231.959560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.959560 (E_RNA)
where:
Base-Base interactions energy: -148.865
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.005
local terms energy: -83.088979
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -209.971097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.971097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.971097 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.012
local terms energy: -78.013337
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -17.937
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: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -210.501888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.501888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.501888 (E_RNA)
where:
Base-Base interactions energy: -131.802
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.053
local terms energy: -78.647837
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -189.678417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.678417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.678417 (E_RNA)
where:
Base-Base interactions energy: -118.971
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.038
local terms energy: -70.669164
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -12.753
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: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -225.129903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129903 (E_RNA)
where:
Base-Base interactions energy: -152.790
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.236
local terms energy: -72.104123
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -182.674352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.674352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.674352 (E_RNA)
where:
Base-Base interactions energy: -110.460
where: short stacking energy: -55.300
Base-Backbone interact. energy: 0.851
local terms energy: -73.065352
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -11.030
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -150.863058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.863058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.863058 (E_RNA)
where:
Base-Base interactions energy: -91.567
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.075
local terms energy: -59.221120
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -11.459
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: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -102.468021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.468021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.468021 (E_RNA)
where:
Base-Base interactions energy: -43.276
where: short stacking energy: -40.892
Base-Backbone interact. energy: -0.098
local terms energy: -59.094033
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -95.393913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.393913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.393913 (E_RNA)
where:
Base-Base interactions energy: -38.891
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.251
local terms energy: -56.251276
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.637
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: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -82.779788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.779788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.779788 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -24.402
Base-Backbone interact. energy: 0.046
local terms energy: -48.971977
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -7.565
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: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -233.383033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.383033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.383033 (E_RNA)
where:
Base-Base interactions energy: -149.412
where: short stacking energy: -87.265
Base-Backbone interact. energy: -0.007
local terms energy: -83.964146
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -200.944887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.944887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.944887 (E_RNA)
where:
Base-Base interactions energy: -138.501
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.151
local terms energy: -62.293655
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -215.298450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.298450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.298450 (E_RNA)
where:
Base-Base interactions energy: -137.580
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.011
local terms energy: -77.707397
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -22.061
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: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -206.476534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.476534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.476534 (E_RNA)
where:
Base-Base interactions energy: -131.311
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.710
local terms energy: -74.455672
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -13.706
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: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -198.024821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024821 (E_RNA)
where:
Base-Base interactions energy: -124.278
where: short stacking energy: -62.530
Base-Backbone interact. energy: -0.287
local terms energy: -73.459761
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -7.624
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -218.732869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.732869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.732869 (E_RNA)
where:
Base-Base interactions energy: -147.858
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.021
local terms energy: -70.854422
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -17.787
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: 102
Temperature: 1.200000
Total energy: -160.740610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.740610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.740610 (E_RNA)
where:
Base-Base interactions energy: -94.033
where: short stacking energy: -49.653
Base-Backbone interact. energy: -0.198
local terms energy: -66.509512
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.391737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391737 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.433
local terms energy: -60.956256
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.133
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: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -109.004480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.004480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.004480 (E_RNA)
where:
Base-Base interactions energy: -53.971
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.131
local terms energy: -54.901917
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -90.737592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737592 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -22.192
Base-Backbone interact. energy: -0.138
local terms energy: -51.913043
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -232.114948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.114948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.114948 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.616
local terms energy: -85.076239
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -22.577
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -214.060726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.060726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.060726 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.280
local terms energy: -70.967953
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -15.780
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: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -224.374333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.374333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.374333 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.013
local terms energy: -88.687186
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.179
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -202.846402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.846402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.846402 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -62.144
Base-Backbone interact. energy: 0.303
local terms energy: -74.230818
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -16.296
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -212.324746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.324746 (E_RNA)
where:
Base-Base interactions energy: -138.524
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.509
local terms energy: -73.291527
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -189.507216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.507216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.507216 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.259
local terms energy: -56.906537
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -10.570
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -110.833147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.833147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.833147 (E_RNA)
where:
Base-Base interactions energy: -47.206
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.607
local terms energy: -63.020168
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -87.138343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.138343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.138343 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -21.660
Base-Backbone interact. energy: -0.190
local terms energy: -48.696246
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -2.184
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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -89.966348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.966348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.966348 (E_RNA)
where:
Base-Base interactions energy: -40.199
where: short stacking energy: -25.867
Base-Backbone interact. energy: -0.086
local terms energy: -49.681701
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -82.367917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367917 (E_RNA)
where:
Base-Base interactions energy: -28.264
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.251
local terms energy: -53.853102
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -225.749084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749084 (E_RNA)
where:
Base-Base interactions energy: -147.759
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.036
local terms energy: -77.954606
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -221.782422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.782422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.782422 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -74.623
Base-Backbone interact. energy: -0.112
local terms energy: -79.836605
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.089
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: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -241.958519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.958519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.958519 (E_RNA)
where:
Base-Base interactions energy: -149.564
where: short stacking energy: -83.622
Base-Backbone interact. energy: -0.727
local terms energy: -91.667921
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -26.318
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: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -215.299630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.299630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.299630 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -78.965
Base-Backbone interact. energy: 0.136
local terms energy: -79.073420
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -216.022184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.022184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.022184 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.579
local terms energy: -72.739854
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -181.872380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.872380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.872380 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.381
local terms energy: -72.861895
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -16.996
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: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -119.996071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.996071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.996071 (E_RNA)
where:
Base-Base interactions energy: -62.826
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.135
local terms energy: -57.034726
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.043
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -99.332448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332448 (E_RNA)
where:
Base-Base interactions energy: -50.463
where: short stacking energy: -37.476
Base-Backbone interact. energy: -0.109
local terms energy: -48.760311
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -84.005298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.005298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.005298 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.178
local terms energy: -51.439965
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.440556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440556 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.023
local terms energy: -55.457784
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -7.785
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: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -236.787174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.787174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.787174 (E_RNA)
where:
Base-Base interactions energy: -153.174
where: short stacking energy: -79.185
Base-Backbone interact. energy: -0.003
local terms energy: -83.610128
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -23.152
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: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -234.039474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.039474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.039474 (E_RNA)
where:
Base-Base interactions energy: -148.866
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.490
local terms energy: -84.683865
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -215.683151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.683151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.683151 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.094
local terms energy: -80.980962
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -20.723
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: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -205.466830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.466830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.466830 (E_RNA)
where:
Base-Base interactions energy: -130.227
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.233
local terms energy: -75.006469
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -208.785910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.785910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.785910 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.016
local terms energy: -78.117324
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -9.482
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: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -175.676134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676134 (E_RNA)
where:
Base-Base interactions energy: -113.639
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.188
local terms energy: -61.849553
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -11.581
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -118.258012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.258012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.258012 (E_RNA)
where:
Base-Base interactions energy: -58.983
where: short stacking energy: -41.361
Base-Backbone interact. energy: -1.012
local terms energy: -58.262930
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -7.920
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: 105
Temperature: 1.250000
Total energy: -104.735768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.735768 (E_RNA)
where:
Base-Base interactions energy: -41.631
where: short stacking energy: -39.467
Base-Backbone interact. energy: -0.528
local terms energy: -62.576188
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -2.896
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -92.789266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.789266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.789266 (E_RNA)
where:
Base-Base interactions energy: -44.586
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.487
local terms energy: -47.716786
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -87.243278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.243278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.243278 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.520
local terms energy: -52.367191
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -230.995970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.995970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.995970 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.025
local terms energy: -81.993834
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -12.874
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: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -228.395476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.395476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.395476 (E_RNA)
where:
Base-Base interactions energy: -145.940
where: short stacking energy: -85.330
Base-Backbone interact. energy: -0.257
local terms energy: -82.198218
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -23.929
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: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -218.098039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.098039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.098039 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -68.170
Base-Backbone interact. energy: -0.791
local terms energy: -75.509754
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -18.854
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: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -213.622992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.622992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.622992 (E_RNA)
where:
Base-Base interactions energy: -142.638
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.005
local terms energy: -70.980052
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -205.539957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.539957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.539957 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.005
local terms energy: -71.485448
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -5.430
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: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -194.562465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.562465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.562465 (E_RNA)
where:
Base-Base interactions energy: -121.014
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.016
local terms energy: -73.532006
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -13.358
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: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -100.644527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.644527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.644527 (E_RNA)
where:
Base-Base interactions energy: -41.336
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.261
local terms energy: -59.047859
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -1.107
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: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -87.733038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733038 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.526
local terms energy: -46.715878
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -3.008
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: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -81.899723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899723 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -29.521
Base-Backbone interact. energy: 1.723
local terms energy: -51.517444
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.031
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: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.731032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.731032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.731032 (E_RNA)
where:
Base-Base interactions energy: -31.912
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.163
local terms energy: -51.655276
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -230.300871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.300871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.300871 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.840
local terms energy: -82.687923
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -231.851268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.851268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.851268 (E_RNA)
where:
Base-Base interactions energy: -144.537
where: short stacking energy: -72.155
Base-Backbone interact. energy: -1.942
local terms energy: -85.372734
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -14.018
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: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -226.654608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.654608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.654608 (E_RNA)
where:
Base-Base interactions energy: -141.648
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.467
local terms energy: -84.540062
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -207.789146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.789146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.789146 (E_RNA)
where:
Base-Base interactions energy: -131.909
where: short stacking energy: -65.116
Base-Backbone interact. energy: 2.384
local terms energy: -78.264039
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.303
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: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -184.795707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.795707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.795707 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.032
local terms energy: -73.676169
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -143.679200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.679200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.679200 (E_RNA)
where:
Base-Base interactions energy: -94.668
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.413
local terms energy: -48.597801
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -1.114
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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -176.531250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.531250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.531250 (E_RNA)
where:
Base-Base interactions energy: -108.568
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.042
local terms energy: -67.921428
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -87.628717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628717 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.339
local terms energy: -52.175611
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: 0.261
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.003441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003441 (E_RNA)
where:
Base-Base interactions energy: -32.656
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.448
local terms energy: -50.900131
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -1.296
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: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -78.574645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.574645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.574645 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -24.891
Base-Backbone interact. energy: -1.239
local terms energy: -48.012157
where:
bonds (distance) C4'-P energy: -7.832
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -240.085583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.085583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.085583 (E_RNA)
where:
Base-Base interactions energy: -158.374
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.443
local terms energy: -81.268422
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -218.544982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.544982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544982 (E_RNA)
where:
Base-Base interactions energy: -139.853
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.275
local terms energy: -78.417443
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -213.375915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.375915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.375915 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -76.512
Base-Backbone interact. energy: -0.000
local terms energy: -83.213136
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -212.207752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.207752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.207752 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.300
local terms energy: -77.591254
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -195.801730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.801730 (E_RNA)
where:
Base-Base interactions energy: -119.819
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.063
local terms energy: -75.919969
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -167.528508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.528508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.528508 (E_RNA)
where:
Base-Base interactions energy: -107.771
where: short stacking energy: -49.334
Base-Backbone interact. energy: -0.308
local terms energy: -59.449252
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -7.223
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: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -184.922296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.922296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.922296 (E_RNA)
where:
Base-Base interactions energy: -114.918
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.234
local terms energy: -69.770150
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -15.049
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: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -88.147397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147397 (E_RNA)
where:
Base-Base interactions energy: -33.601
where: short stacking energy: -27.575
Base-Backbone interact. energy: -0.015
local terms energy: -54.531575
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.176964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.176964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.176964 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -22.732
Base-Backbone interact. energy: -0.048
local terms energy: -55.610047
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -80.683362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.683362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.683362 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.114
local terms energy: -46.377751
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -7.825
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -241.508578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.508578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.508578 (E_RNA)
where:
Base-Base interactions energy: -160.495
where: short stacking energy: -75.360
Base-Backbone interact. energy: -1.274
local terms energy: -79.739804
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -206.657719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657719 (E_RNA)
where:
Base-Base interactions energy: -129.366
where: short stacking energy: -65.028
Base-Backbone interact. energy: 2.409
local terms energy: -79.700944
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -16.561
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: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -222.548732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.548732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.548732 (E_RNA)
where:
Base-Base interactions energy: -138.972
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.314
local terms energy: -83.262297
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -14.191
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -212.837969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.837969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.837969 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.094
local terms energy: -78.325887
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -214.571004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.571004 (E_RNA)
where:
Base-Base interactions energy: -140.291
where: short stacking energy: -75.994
Base-Backbone interact. energy: -0.029
local terms energy: -74.250817
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -19.339
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: 109
Temperature: 1.150000
Total energy: -163.718772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.718772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.718772 (E_RNA)
where:
Base-Base interactions energy: -91.841
where: short stacking energy: -45.913
Base-Backbone interact. energy: -0.236
local terms energy: -71.641817
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -128.234929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.234929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.234929 (E_RNA)
where:
Base-Base interactions energy: -71.894
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.536
local terms energy: -55.804827
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -105.207167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.207167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.207167 (E_RNA)
where:
Base-Base interactions energy: -45.171
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.332
local terms energy: -59.703820
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -84.207147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207147 (E_RNA)
where:
Base-Base interactions energy: -28.955
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.287
local terms energy: -54.964917
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -90.626815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626815 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -31.144
Base-Backbone interact. energy: 1.511
local terms energy: -58.500332
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -1.240
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -238.449322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.449322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.449322 (E_RNA)
where:
Base-Base interactions energy: -152.923
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.010
local terms energy: -85.515537
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.385
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: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -212.539107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.539107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.539107 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.065
local terms energy: -75.408149
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -216.274359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.274359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.274359 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.319
local terms energy: -76.601609
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -203.929162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.929162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.929162 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.345
local terms energy: -66.795165
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -203.368657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.368657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.368657 (E_RNA)
where:
Base-Base interactions energy: -132.643
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.079
local terms energy: -70.646333
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -8.068
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: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -184.481814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.481814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.481814 (E_RNA)
where:
Base-Base interactions energy: -123.856
where: short stacking energy: -56.549
Base-Backbone interact. energy: 1.919
local terms energy: -62.545192
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -13.092
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: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -129.939816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.939816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.939816 (E_RNA)
where:
Base-Base interactions energy: -74.013
where: short stacking energy: -37.570
Base-Backbone interact. energy: -1.510
local terms energy: -54.417230
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.541
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -91.943976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943976 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -37.522
Base-Backbone interact. energy: -0.120
local terms energy: -54.302712
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -3.216
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: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -82.740786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740786 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.131
local terms energy: -57.642713
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -83.496748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.496748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.496748 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -30.003
Base-Backbone interact. energy: 0.676
local terms energy: -54.169557
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -237.994500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.994500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.994500 (E_RNA)
where:
Base-Base interactions energy: -155.186
where: short stacking energy: -76.368
Base-Backbone interact. energy: 1.221
local terms energy: -84.028768
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -23.182
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: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -227.409562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.409562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409562 (E_RNA)
where:
Base-Base interactions energy: -145.284
where: short stacking energy: -80.391
Base-Backbone interact. energy: -0.002
local terms energy: -82.124061
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -205.808683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.808683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.808683 (E_RNA)
where:
Base-Base interactions energy: -128.975
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.153
local terms energy: -76.680084
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -217.585096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.585096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.585096 (E_RNA)
where:
Base-Base interactions energy: -137.530
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.635
local terms energy: -79.419606
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -208.827618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.827618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.827618 (E_RNA)
where:
Base-Base interactions energy: -147.247
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.323
local terms energy: -61.258281
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -12.965
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: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -177.402827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.402827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.402827 (E_RNA)
where:
Base-Base interactions energy: -115.146
where: short stacking energy: -59.569
Base-Backbone interact. energy: 1.084
local terms energy: -63.340812
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.708
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: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -166.243273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.243273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.243273 (E_RNA)
where:
Base-Base interactions energy: -102.547
where: short stacking energy: -51.525
Base-Backbone interact. energy: 0.032
local terms energy: -63.727930
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -100.872490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.872490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.872490 (E_RNA)
where:
Base-Base interactions energy: -46.023
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.893
local terms energy: -53.956631
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -5.621
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -92.626938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626938 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -36.280
Base-Backbone interact. energy: -0.026
local terms energy: -57.320815
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -75.087968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087968 (E_RNA)
where:
Base-Base interactions energy: -24.227
where: short stacking energy: -24.129
Base-Backbone interact. energy: 0.595
local terms energy: -51.456432
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -237.827394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.827394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.827394 (E_RNA)
where:
Base-Base interactions energy: -155.885
where: short stacking energy: -81.157
Base-Backbone interact. energy: -0.097
local terms energy: -81.845105
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -225.876031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.876031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.876031 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -78.357
Base-Backbone interact. energy: -0.655
local terms energy: -77.505338
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -8.854
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: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -205.748793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.748793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748793 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.451
local terms energy: -78.152058
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -212.662026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.662026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.662026 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.953
local terms energy: -73.606230
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -5.925
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: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -182.591539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.591539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.591539 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.003
local terms energy: -73.181631
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -190.841990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.841990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.841990 (E_RNA)
where:
Base-Base interactions energy: -123.437
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.017
local terms energy: -67.388162
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -12.308
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -162.547424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.547424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.547424 (E_RNA)
where:
Base-Base interactions energy: -95.381
where: short stacking energy: -51.354
Base-Backbone interact. energy: -0.555
local terms energy: -66.611919
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -10.815
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -86.420716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420716 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -26.911
Base-Backbone interact. energy: -0.282
local terms energy: -50.467406
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -89.183256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.183256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.183256 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.218
local terms energy: -53.336026
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: 0.309
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: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -89.852712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.852712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.852712 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.719
local terms energy: -59.358191
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -237.565922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.565922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.565922 (E_RNA)
where:
Base-Base interactions energy: -156.573
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.423
local terms energy: -80.570415
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -212.427961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.427961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.427961 (E_RNA)
where:
Base-Base interactions energy: -141.922
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.058
local terms energy: -70.447991
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -15.898
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: 113
Temperature: 1.000000
Total energy: -211.051304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051304 (E_RNA)
where:
Base-Base interactions energy: -132.278
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.657
local terms energy: -78.116617
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -15.832
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: 113
Temperature: 1.050000
Total energy: -207.808044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.808044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.808044 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -62.221
Base-Backbone interact. energy: -1.158
local terms energy: -74.045723
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.808
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -185.805696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.805696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.805696 (E_RNA)
where:
Base-Base interactions energy: -112.421
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.252
local terms energy: -73.132659
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -177.215264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.215264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.215264 (E_RNA)
where:
Base-Base interactions energy: -108.899
where: short stacking energy: -62.098
Base-Backbone interact. energy: 0.639
local terms energy: -68.955466
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -165.050660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.050660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.050660 (E_RNA)
where:
Base-Base interactions energy: -97.835
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.527
local terms energy: -66.689497
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -105.379002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.379002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.379002 (E_RNA)
where:
Base-Base interactions energy: -45.916
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.025
local terms energy: -59.438185
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -87.129367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129367 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.237
local terms energy: -54.462769
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -9.294
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: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -95.768055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.768055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.768055 (E_RNA)
where:
Base-Base interactions energy: -46.772
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.064
local terms energy: -48.931951
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -226.905843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.905843 (E_RNA)
where:
Base-Base interactions energy: -146.434
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.114
local terms energy: -80.357927
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -15.115
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: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -234.748764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748764 (E_RNA)
where:
Base-Base interactions energy: -159.281
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.717
local terms energy: -74.751101
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -213.914073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.914073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914073 (E_RNA)
where:
Base-Base interactions energy: -136.157
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.015
local terms energy: -77.742610
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -204.858191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.858191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.858191 (E_RNA)
where:
Base-Base interactions energy: -131.125
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.819
local terms energy: -72.913668
where:
bonds (distance) C4'-P energy: -8.027
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -194.434244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.434244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.434244 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -56.852
Base-Backbone interact. energy: 0.090
local terms energy: -68.027144
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -14.397
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: 114
Temperature: 1.150000
Total energy: -187.477421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.477421 (E_RNA)
where:
Base-Base interactions energy: -117.446
where: short stacking energy: -61.417
Base-Backbone interact. energy: 1.455
local terms energy: -71.486439
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -152.747561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.747561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.747561 (E_RNA)
where:
Base-Base interactions energy: -84.732
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.099
local terms energy: -67.916255
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -16.652
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: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -165.804880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.804880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.804880 (E_RNA)
where:
Base-Base interactions energy: -92.675
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.081
local terms energy: -73.048396
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -87.624536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.624536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.624536 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: 1.274
local terms energy: -55.142490
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -3.886
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: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -87.960865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.960865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.960865 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.231
local terms energy: -49.812767
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -226.548204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.548204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.548204 (E_RNA)
where:
Base-Base interactions energy: -151.375
where: short stacking energy: -70.184
Base-Backbone interact. energy: -0.024
local terms energy: -75.149042
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.278
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -235.938477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.938477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.938477 (E_RNA)
where:
Base-Base interactions energy: -163.518
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.015
local terms energy: -72.405403
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -219.685970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.685970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.685970 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -72.092
Base-Backbone interact. energy: -0.795
local terms energy: -81.374473
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -180.935263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.935263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.935263 (E_RNA)
where:
Base-Base interactions energy: -112.825
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.079
local terms energy: -68.030706
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -189.565481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.565481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.565481 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.413
local terms energy: -68.276756
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -184.339378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.339378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.339378 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.011
local terms energy: -70.812875
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -146.314008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.314008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.314008 (E_RNA)
where:
Base-Base interactions energy: -92.101
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.932
local terms energy: -53.280455
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -8.602
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: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -161.234137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.234137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.234137 (E_RNA)
where:
Base-Base interactions energy: -98.648
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.026
local terms energy: -62.560255
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -94.554980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.554980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.554980 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.122
local terms energy: -58.555855
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -77.209310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.209310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.209310 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -23.228
Base-Backbone interact. energy: 0.363
local terms energy: -50.741326
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -239.422335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.422335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.422335 (E_RNA)
where:
Base-Base interactions energy: -157.863
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.085
local terms energy: -81.473890
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -9.001
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: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -217.316839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.316839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.316839 (E_RNA)
where:
Base-Base interactions energy: -140.927
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.105
local terms energy: -76.284901
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -18.281
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: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -224.986943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986943 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -76.485
Base-Backbone interact. energy: -0.295
local terms energy: -78.306592
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -183.262713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.262713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.262713 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.263
local terms energy: -67.514221
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.416
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: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -194.702437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.702437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.702437 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.790
local terms energy: -76.288202
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -15.216
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: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -198.671924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.671924 (E_RNA)
where:
Base-Base interactions energy: -125.556
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.145
local terms energy: -72.971088
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -163.640088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.640088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.640088 (E_RNA)
where:
Base-Base interactions energy: -99.376
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.092
local terms energy: -64.172307
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -141.943349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.943349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.943349 (E_RNA)
where:
Base-Base interactions energy: -79.530
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.751
local terms energy: -61.662622
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -8.739
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: 116
Temperature: 1.300000
Total energy: -91.340922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.340922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.340922 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.178
local terms energy: -55.317001
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 0.111
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -92.383790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383790 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -37.078
Base-Backbone interact. energy: 2.492
local terms energy: -57.128562
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -12.286
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: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -239.030052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.030052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.030052 (E_RNA)
where:
Base-Base interactions energy: -158.824
where: short stacking energy: -75.849
Base-Backbone interact. energy: -0.766
local terms energy: -79.439556
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -223.123379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.123379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.123379 (E_RNA)
where:
Base-Base interactions energy: -145.556
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.213
local terms energy: -77.355078
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -16.709
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -217.135933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.135933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.135933 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.653
local terms energy: -83.976229
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -198.308178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.308178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.308178 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.171
local terms energy: -72.414045
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -179.946475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.946475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.946475 (E_RNA)
where:
Base-Base interactions energy: -120.211
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.487
local terms energy: -59.248591
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -9.998
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -193.137622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.137622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.137622 (E_RNA)
where:
Base-Base interactions energy: -125.170
where: short stacking energy: -54.315
Base-Backbone interact. energy: 0.915
local terms energy: -68.882307
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -14.416
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: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -137.772228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.772228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.772228 (E_RNA)
where:
Base-Base interactions energy: -76.812
where: short stacking energy: -39.840
Base-Backbone interact. energy: 0.145
local terms energy: -61.104986
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -6.154
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -146.927702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.927702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.927702 (E_RNA)
where:
Base-Base interactions energy: -88.042
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.061
local terms energy: -58.824687
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -86.944624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.944624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.944624 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.202
local terms energy: -47.125479
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -11.650
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: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -94.425650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.425650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.425650 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.077
local terms energy: -55.417679
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -8.980
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -229.896817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.896817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.896817 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.148
local terms energy: -73.815766
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -14.989
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: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -225.532726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.532726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.532726 (E_RNA)
where:
Base-Base interactions energy: -152.893
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.066
local terms energy: -72.573784
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -205.451116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.451116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.451116 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -67.243
Base-Backbone interact. energy: -0.096
local terms energy: -76.621032
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -13.349
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: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -199.861346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.861346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.861346 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.056
local terms energy: -71.201104
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -221.219700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.219700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.219700 (E_RNA)
where:
Base-Base interactions energy: -148.826
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.409
local terms energy: -71.984883
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -179.678538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678538 (E_RNA)
where:
Base-Base interactions energy: -109.766
where: short stacking energy: -50.413
Base-Backbone interact. energy: -0.092
local terms energy: -69.820395
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -14.036
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: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -159.792695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.792695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.792695 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.165
local terms energy: -61.054376
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -140.381353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.381353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.381353 (E_RNA)
where:
Base-Base interactions energy: -83.907
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.269
local terms energy: -56.206085
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -107.921334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.921334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.921334 (E_RNA)
where:
Base-Base interactions energy: -54.252
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.256
local terms energy: -53.413828
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -90.913575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.913575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.913575 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.096
local terms energy: -57.238797
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -233.153596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153596 (E_RNA)
where:
Base-Base interactions energy: -149.817
where: short stacking energy: -73.029
Base-Backbone interact. energy: 0.393
local terms energy: -83.729428
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -217.785894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.785894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.785894 (E_RNA)
where:
Base-Base interactions energy: -141.132
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.143
local terms energy: -76.510860
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -13.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -205.181073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.181073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.181073 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.581
local terms energy: -60.670526
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -238.512545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.512545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.512545 (E_RNA)
where:
Base-Base interactions energy: -164.246
where: short stacking energy: -70.536
Base-Backbone interact. energy: -1.346
local terms energy: -72.920004
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -208.507372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.507372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.507372 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.442
local terms energy: -73.864715
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -165.028183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.028183 (E_RNA)
where:
Base-Base interactions energy: -92.139
where: short stacking energy: -52.298
Base-Backbone interact. energy: -0.366
local terms energy: -72.523634
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -131.742623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.742623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.742623 (E_RNA)
where:
Base-Base interactions energy: -73.873
where: short stacking energy: -44.568
Base-Backbone interact. energy: -0.509
local terms energy: -57.360825
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -96.986682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986682 (E_RNA)
where:
Base-Base interactions energy: -38.096
where: short stacking energy: -37.784
Base-Backbone interact. energy: -0.132
local terms energy: -58.758330
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -6.682
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -98.725232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.725232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.725232 (E_RNA)
where:
Base-Base interactions energy: -50.218
where: short stacking energy: -15.456
Base-Backbone interact. energy: -1.407
local terms energy: -47.100398
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -4.465
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -96.300663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.300663 (E_RNA)
where:
Base-Base interactions energy: -37.793
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.245
local terms energy: -58.262658
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -6.932
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: 120
Temperature: 0.900000
Total energy: -222.991146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991146 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -80.552
Base-Backbone interact. energy: -0.347
local terms energy: -75.790126
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -229.335153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.335153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.335153 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -66.701
Base-Backbone interact. energy: 0.850
local terms energy: -78.806729
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -9.288
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: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -239.137716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.137716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.137716 (E_RNA)
where:
Base-Base interactions energy: -160.404
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.351
local terms energy: -78.382310
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -193.582888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.582888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.582888 (E_RNA)
where:
Base-Base interactions energy: -124.065
where: short stacking energy: -46.349
Base-Backbone interact. energy: -0.738
local terms energy: -68.779459
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -10.217
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: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -203.733873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733873 (E_RNA)
where:
Base-Base interactions energy: -127.535
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.017
local terms energy: -76.181994
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.697
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: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -163.861107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.861107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.861107 (E_RNA)
where:
Base-Base interactions energy: -107.788
where: short stacking energy: -48.281
Base-Backbone interact. energy: -0.826
local terms energy: -55.246785
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -144.309112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.309112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.309112 (E_RNA)
where:
Base-Base interactions energy: -86.554
where: short stacking energy: -48.662
Base-Backbone interact. energy: -0.158
local terms energy: -57.596808
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -93.480759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480759 (E_RNA)
where:
Base-Base interactions energy: -35.690
where: short stacking energy: -31.685
Base-Backbone interact. energy: 0.713
local terms energy: -58.504086
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -87.085017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.085017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.085017 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -37.188
Base-Backbone interact. energy: -0.039
local terms energy: -49.857656
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -98.567629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.567629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.567629 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -20.167
Base-Backbone interact. energy: -0.108
local terms energy: -64.679543
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -228.752257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.752257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.752257 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -78.378
Base-Backbone interact. energy: 0.264
local terms energy: -85.980242
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -21.111
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -246.010843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.010843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.010843 (E_RNA)
where:
Base-Base interactions energy: -163.665
where: short stacking energy: -70.869
Base-Backbone interact. energy: -1.297
local terms energy: -81.048231
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -20.063
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -212.985731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.985731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.985731 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.762
local terms energy: -76.002174
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -206.184963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184963 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.231
local terms energy: -76.567918
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -190.871668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.871668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.871668 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.601
local terms energy: -64.614142
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -11.909
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: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -164.584048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.584048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.584048 (E_RNA)
where:
Base-Base interactions energy: -95.891
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.331
local terms energy: -68.362047
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -11.725
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: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -140.958913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.958913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.958913 (E_RNA)
where:
Base-Base interactions energy: -85.158
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.202
local terms energy: -55.598933
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -93.239280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.239280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.239280 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.009
local terms energy: -57.651844
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.756
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -91.894132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.894132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.894132 (E_RNA)
where:
Base-Base interactions energy: -37.028
where: short stacking energy: -35.958
Base-Backbone interact. energy: -0.244
local terms energy: -54.622408
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -84.360975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.360975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.360975 (E_RNA)
where:
Base-Base interactions energy: -31.870
where: short stacking energy: -21.738
Base-Backbone interact. energy: -0.310
local terms energy: -52.180939
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -255.364676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.364676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.364676 (E_RNA)
where:
Base-Base interactions energy: -179.593
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.135
local terms energy: -75.637100
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -211.890980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.890980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.890980 (E_RNA)
where:
Base-Base interactions energy: -139.965
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.036
local terms energy: -71.889362
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -212.113316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.113316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.113316 (E_RNA)
where:
Base-Base interactions energy: -130.095
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.534
local terms energy: -81.483905
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -16.543
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: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -202.673396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.673396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.673396 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.233
local terms energy: -71.468060
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -15.408
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: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -176.274024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.274024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.274024 (E_RNA)
where:
Base-Base interactions energy: -108.628
where: short stacking energy: -59.163
Base-Backbone interact. energy: -1.217
local terms energy: -66.429251
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -158.877531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.877531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.877531 (E_RNA)
where:
Base-Base interactions energy: -92.325
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.021
local terms energy: -66.531563
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.130
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: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -155.994566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.994566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.994566 (E_RNA)
where:
Base-Base interactions energy: -86.665
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.026
local terms energy: -69.303642
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -94.845392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.845392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.845392 (E_RNA)
where:
Base-Base interactions energy: -31.404
where: short stacking energy: -31.404
Base-Backbone interact. energy: -0.287
local terms energy: -63.154621
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -82.420143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.420143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.420143 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -22.019
Base-Backbone interact. energy: -0.043
local terms energy: -56.957569
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -3.635
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -85.229383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229383 (E_RNA)
where:
Base-Base interactions energy: -30.329
where: short stacking energy: -30.147
Base-Backbone interact. energy: -1.074
local terms energy: -53.826050
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -242.418187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.418187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.418187 (E_RNA)
where:
Base-Base interactions energy: -161.018
where: short stacking energy: -72.447
Base-Backbone interact. energy: -0.184
local terms energy: -81.216485
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -19.292
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -221.606388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.606388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.606388 (E_RNA)
where:
Base-Base interactions energy: -141.750
where: short stacking energy: -74.991
Base-Backbone interact. energy: -0.082
local terms energy: -79.773657
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -208.254260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254260 (E_RNA)
where:
Base-Base interactions energy: -127.335
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.001
local terms energy: -80.918943
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -16.865
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: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -194.526327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.526327 (E_RNA)
where:
Base-Base interactions energy: -124.575
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.089
local terms energy: -69.862055
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -13.597
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -206.867116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867116 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.023
local terms energy: -74.569128
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -188.181679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.181679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.181679 (E_RNA)
where:
Base-Base interactions energy: -113.716
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.004
local terms energy: -74.461962
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -105.052027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.052027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.052027 (E_RNA)
where:
Base-Base interactions energy: -51.498
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.135
local terms energy: -53.419849
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -86.739211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739211 (E_RNA)
where:
Base-Base interactions energy: -32.806
where: short stacking energy: -32.806
Base-Backbone interact. energy: -0.389
local terms energy: -53.544132
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -95.317331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317331 (E_RNA)
where:
Base-Base interactions energy: -47.592
where: short stacking energy: -32.862
Base-Backbone interact. energy: 2.000
local terms energy: -49.725676
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -107.642106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.642106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.642106 (E_RNA)
where:
Base-Base interactions energy: -47.080
where: short stacking energy: -47.080
Base-Backbone interact. energy: 0.743
local terms energy: -61.304145
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -233.254347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.254347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.254347 (E_RNA)
where:
Base-Base interactions energy: -144.060
where: short stacking energy: -80.481
Base-Backbone interact. energy: -0.249
local terms energy: -88.945770
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -24.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -242.086077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.086077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.086077 (E_RNA)
where:
Base-Base interactions energy: -167.803
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.177
local terms energy: -74.106717
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -198.119111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.119111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.119111 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.206
local terms energy: -72.388163
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -201.705913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.705913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.705913 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.016
local terms energy: -78.293796
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.626
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: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -185.940899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940899 (E_RNA)
where:
Base-Base interactions energy: -111.019
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.767
local terms energy: -74.155147
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -12.942
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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -164.610322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.610322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.610322 (E_RNA)
where:
Base-Base interactions energy: -99.246
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.221
local terms energy: -65.143106
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -13.586
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: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -92.822984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.822984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.822984 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -22.563
Base-Backbone interact. energy: -0.319
local terms energy: -65.359350
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -108.793239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.793239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.793239 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -47.006
Base-Backbone interact. energy: -0.165
local terms energy: -56.520599
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -4.826
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -107.740147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.740147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.740147 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.136
local terms energy: -63.517877
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -94.418819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.418819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.418819 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.303
local terms energy: -54.440432
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: 1.290
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: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -230.260622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.260622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.260622 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -77.293
Base-Backbone interact. energy: -0.412
local terms energy: -86.699029
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -230.874628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.874628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.874628 (E_RNA)
where:
Base-Base interactions energy: -145.651
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.438
local terms energy: -84.785570
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -22.330
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -235.942729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942729 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -70.092
Base-Backbone interact. energy: -1.110
local terms energy: -75.422796
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -185.584613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.584613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.584613 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -55.484
Base-Backbone interact. energy: -0.290
local terms energy: -70.840608
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -211.522635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.522635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.522635 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -71.830
Base-Backbone interact. energy: 0.281
local terms energy: -80.032969
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -156.957425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.957425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.957425 (E_RNA)
where:
Base-Base interactions energy: -90.556
where: short stacking energy: -45.324
Base-Backbone interact. energy: 1.665
local terms energy: -68.066469
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -93.636305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.636305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.636305 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -33.143
Base-Backbone interact. energy: -0.991
local terms energy: -50.462906
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -109.128326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.128326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.128326 (E_RNA)
where:
Base-Base interactions energy: -43.826
where: short stacking energy: -43.826
Base-Backbone interact. energy: -0.128
local terms energy: -65.175002
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -84.182117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.182117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.182117 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -26.505
Base-Backbone interact. energy: -0.568
local terms energy: -44.046309
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -77.887936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.887936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.887936 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.121
local terms energy: -47.973950
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: 1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -234.549763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.549763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.549763 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -80.070
Base-Backbone interact. energy: -0.617
local terms energy: -88.744173
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -232.878158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.878158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.878158 (E_RNA)
where:
Base-Base interactions energy: -145.097
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.566
local terms energy: -87.214979
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -248.394060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.394060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.394060 (E_RNA)
where:
Base-Base interactions energy: -166.867
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.302
local terms energy: -81.225681
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -190.419586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.419586 (E_RNA)
where:
Base-Base interactions energy: -115.048
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.633
local terms energy: -74.738880
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -208.386807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386807 (E_RNA)
where:
Base-Base interactions energy: -126.244
where: short stacking energy: -64.607
Base-Backbone interact. energy: -1.075
local terms energy: -81.068176
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -12.004
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: 126
Temperature: 1.150000
Total energy: -166.995605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.995605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.995605 (E_RNA)
where:
Base-Base interactions energy: -109.784
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.160
local terms energy: -57.052338
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -97.433412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.433412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.433412 (E_RNA)
where:
Base-Base interactions energy: -39.352
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.382
local terms energy: -57.698554
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.459
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -92.700680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.700680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.700680 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.328
local terms energy: -58.028850
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -113.408811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.408811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.408811 (E_RNA)
where:
Base-Base interactions energy: -52.672
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.601
local terms energy: -60.136387
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.423
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -89.041950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.041950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.041950 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.403
local terms energy: -53.253425
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -233.843296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.843296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.843296 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -88.393
Base-Backbone interact. energy: -1.085
local terms energy: -82.179751
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -257.403884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.403884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.403884 (E_RNA)
where:
Base-Base interactions energy: -172.664
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.944
local terms energy: -83.795215
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -8.654
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -222.834167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.834167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.834167 (E_RNA)
where:
Base-Base interactions energy: -139.566
where: short stacking energy: -78.510
Base-Backbone interact. energy: -0.080
local terms energy: -83.188216
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -11.323
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: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -207.190295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190295 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.246
local terms energy: -72.447000
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -193.897313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.897313 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -71.904
Base-Backbone interact. energy: 0.447
local terms energy: -75.311632
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -103.295176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.295176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.295176 (E_RNA)
where:
Base-Base interactions energy: -41.647
where: short stacking energy: -40.227
Base-Backbone interact. energy: -0.022
local terms energy: -61.626450
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -155.634343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.634343 (E_RNA)
where:
Base-Base interactions energy: -90.815
where: short stacking energy: -48.144
Base-Backbone interact. energy: 1.011
local terms energy: -65.830234
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -8.540
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: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -103.275913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.275913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.275913 (E_RNA)
where:
Base-Base interactions energy: -49.290
where: short stacking energy: -41.076
Base-Backbone interact. energy: -0.291
local terms energy: -53.694386
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -98.818857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.818857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.818857 (E_RNA)
where:
Base-Base interactions energy: -39.763
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.815
local terms energy: -58.240919
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.187
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: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -105.382076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.382076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.382076 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -34.336
Base-Backbone interact. energy: 0.341
local terms energy: -58.377529
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -7.102
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: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -256.836918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.836918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.836918 (E_RNA)
where:
Base-Base interactions energy: -168.406
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.741
local terms energy: -87.690517
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -21.574
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: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -214.664171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.664171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.664171 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -77.452
Base-Backbone interact. energy: -0.136
local terms energy: -76.858382
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -23.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -224.790710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.790710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.790710 (E_RNA)
where:
Base-Base interactions energy: -142.058
where: short stacking energy: -73.450
Base-Backbone interact. energy: -1.256
local terms energy: -81.475778
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -21.722
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: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -210.626632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.626632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.626632 (E_RNA)
where:
Base-Base interactions energy: -136.503
where: short stacking energy: -76.564
Base-Backbone interact. energy: -0.401
local terms energy: -73.723082
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -188.003506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.003506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.003506 (E_RNA)
where:
Base-Base interactions energy: -122.692
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.281
local terms energy: -65.030897
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -110.585249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.585249 (E_RNA)
where:
Base-Base interactions energy: -41.928
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.045
local terms energy: -68.612949
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -131.543975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.543975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.543975 (E_RNA)
where:
Base-Base interactions energy: -77.774
where: short stacking energy: -44.982
Base-Backbone interact. energy: -0.116
local terms energy: -53.654510
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -3.281
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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -104.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.535991 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -33.430
Base-Backbone interact. energy: -1.332
local terms energy: -54.979999
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -1.479
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -80.994246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.994246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.994246 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.190
local terms energy: -48.302585
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -88.021804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.021804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.021804 (E_RNA)
where:
Base-Base interactions energy: -27.841
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.158
local terms energy: -60.022946
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -252.880462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.880462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.880462 (E_RNA)
where:
Base-Base interactions energy: -167.621
where: short stacking energy: -80.150
Base-Backbone interact. energy: -0.744
local terms energy: -84.514851
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -226.626647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.626647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.626647 (E_RNA)
where:
Base-Base interactions energy: -145.185
where: short stacking energy: -81.318
Base-Backbone interact. energy: -1.232
local terms energy: -80.210340
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -222.536928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.536928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.536928 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.049
local terms energy: -84.469203
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -209.440632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.440632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.440632 (E_RNA)
where:
Base-Base interactions energy: -134.568
where: short stacking energy: -74.996
Base-Backbone interact. energy: -0.648
local terms energy: -74.225285
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -18.362
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -176.349711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.349711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.349711 (E_RNA)
where:
Base-Base interactions energy: -103.623
where: short stacking energy: -56.496
Base-Backbone interact. energy: -0.045
local terms energy: -72.681846
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -120.546060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.546060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.546060 (E_RNA)
where:
Base-Base interactions energy: -45.788
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.068
local terms energy: -74.689477
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -12.505
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: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -111.989641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.989641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.989641 (E_RNA)
where:
Base-Base interactions energy: -48.298
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.161
local terms energy: -63.530725
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -100.757091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.757091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.757091 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.188
local terms energy: -63.385467
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -5.282
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: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -102.249499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.249499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.249499 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -28.857
Base-Backbone interact. energy: -1.233
local terms energy: -51.144021
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -81.857450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857450 (E_RNA)
where:
Base-Base interactions energy: -25.512
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.180
local terms energy: -56.165354
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -13.347
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: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -254.720178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.720178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.720178 (E_RNA)
where:
Base-Base interactions energy: -172.915
where: short stacking energy: -81.470
Base-Backbone interact. energy: -0.529
local terms energy: -81.276400
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -22.561
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: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -224.476935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.476935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.476935 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -75.925
Base-Backbone interact. energy: -0.714
local terms energy: -87.125162
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -195.343380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.343380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.343380 (E_RNA)
where:
Base-Base interactions energy: -127.196
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.194
local terms energy: -67.953780
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -12.270
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: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -214.740197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.740197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.740197 (E_RNA)
where:
Base-Base interactions energy: -129.226
where: short stacking energy: -62.438
Base-Backbone interact. energy: -1.033
local terms energy: -84.480975
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -128.021177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.021177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.021177 (E_RNA)
where:
Base-Base interactions energy: -62.782
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.793
local terms energy: -64.445483
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -159.666162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.666162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.666162 (E_RNA)
where:
Base-Base interactions energy: -95.935
where: short stacking energy: -47.483
Base-Backbone interact. energy: -1.287
local terms energy: -62.444516
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -99.312276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.312276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.312276 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.339
local terms energy: -63.109333
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -7.586
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: 130
Temperature: 1.250000
Total energy: -86.092193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092193 (E_RNA)
where:
Base-Base interactions energy: -38.511
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.125
local terms energy: -47.455709
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -92.429704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429704 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.198
local terms energy: -55.227842
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -83.180239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180239 (E_RNA)
where:
Base-Base interactions energy: -28.354
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.088
local terms energy: -54.738710
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -3.148
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: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -251.786810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.786810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.786810 (E_RNA)
where:
Base-Base interactions energy: -169.505
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.263
local terms energy: -82.018873
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -199.165168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.165168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165168 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.610
local terms energy: -73.691639
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -16.837
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -213.680990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.680990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.680990 (E_RNA)
where:
Base-Base interactions energy: -139.860
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.542
local terms energy: -73.279765
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.258
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -211.706785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.706785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.706785 (E_RNA)
where:
Base-Base interactions energy: -135.310
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.091
local terms energy: -76.305100
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -11.366
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: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -127.988823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.988823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.988823 (E_RNA)
where:
Base-Base interactions energy: -63.732
where: short stacking energy: -52.555
Base-Backbone interact. energy: 2.041
local terms energy: -66.297261
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -170.826054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.826054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.826054 (E_RNA)
where:
Base-Base interactions energy: -107.615
where: short stacking energy: -56.195
Base-Backbone interact. energy: 1.948
local terms energy: -65.159037
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -105.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.599741 (E_RNA)
where:
Base-Base interactions energy: -53.137
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.795
local terms energy: -51.667386
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -1.704
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: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -89.647687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647687 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.669
local terms energy: -52.137746
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -3.048
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: 131
Temperature: 1.300000
Total energy: -111.548318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.548318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.548318 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -24.385
Base-Backbone interact. energy: -0.157
local terms energy: -63.362248
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -13.854
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: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -79.614642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.614642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.614642 (E_RNA)
where:
Base-Base interactions energy: -26.196
where: short stacking energy: -24.292
Base-Backbone interact. energy: -0.071
local terms energy: -53.348110
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -0.998
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: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -253.794005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.794005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.794005 (E_RNA)
where:
Base-Base interactions energy: -172.244
where: short stacking energy: -76.382
Base-Backbone interact. energy: -0.400
local terms energy: -81.149797
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -13.023
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: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -219.687068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687068 (E_RNA)
where:
Base-Base interactions energy: -136.868
where: short stacking energy: -75.492
Base-Backbone interact. energy: 0.393
local terms energy: -83.211335
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -204.474877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.474877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.474877 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.703
local terms energy: -76.581120
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.571
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: 132
Temperature: 1.050000
Total energy: -220.590283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.590283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590283 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.651
local terms energy: -82.590223
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -164.026857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.026857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.026857 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -58.806
Base-Backbone interact. energy: -1.202
local terms energy: -56.119552
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -10.056
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: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -104.398292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.398292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.398292 (E_RNA)
where:
Base-Base interactions energy: -42.986
where: short stacking energy: -40.815
Base-Backbone interact. energy: -0.276
local terms energy: -61.137069
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -103.392866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.392866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.392866 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -36.734
Base-Backbone interact. energy: -0.128
local terms energy: -55.031679
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -150.377550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.377550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.377550 (E_RNA)
where:
Base-Base interactions energy: -86.010
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.526
local terms energy: -63.841206
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -10.346
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -93.526856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.526856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.526856 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.002
local terms energy: -52.940951
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -1.094
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -94.018329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018329 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -38.450
Base-Backbone interact. energy: -0.115
local terms energy: -52.106129
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -251.388803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.388803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.388803 (E_RNA)
where:
Base-Base interactions energy: -178.858
where: short stacking energy: -76.015
Base-Backbone interact. energy: 0.551
local terms energy: -73.082591
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -17.931
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: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -213.363678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.363678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.363678 (E_RNA)
where:
Base-Base interactions energy: -138.094
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.021
local terms energy: -75.248699
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.180
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: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -223.171945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.171945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.171945 (E_RNA)
where:
Base-Base interactions energy: -152.961
where: short stacking energy: -75.062
Base-Backbone interact. energy: -0.222
local terms energy: -69.988805
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.037
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: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -218.932369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932369 (E_RNA)
where:
Base-Base interactions energy: -144.936
where: short stacking energy: -81.250
Base-Backbone interact. energy: -0.660
local terms energy: -73.336732
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.617
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: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -174.623807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.623807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.623807 (E_RNA)
where:
Base-Base interactions energy: -105.761
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.889
local terms energy: -67.974256
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -117.379943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.379943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.379943 (E_RNA)
where:
Base-Base interactions energy: -53.155
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.204
local terms energy: -64.021003
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -102.903668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.903668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.903668 (E_RNA)
where:
Base-Base interactions energy: -43.199
where: short stacking energy: -43.199
Base-Backbone interact. energy: -0.110
local terms energy: -59.594900
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -6.690
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: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -86.566746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.566746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.566746 (E_RNA)
where:
Base-Base interactions energy: -35.605
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.032
local terms energy: -50.929129
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.066
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -172.142507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.142507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.142507 (E_RNA)
where:
Base-Base interactions energy: -102.385
where: short stacking energy: -45.129
Base-Backbone interact. energy: -0.694
local terms energy: -69.064117
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -100.435046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.435046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.435046 (E_RNA)
where:
Base-Base interactions energy: -56.082
where: short stacking energy: -22.164
Base-Backbone interact. energy: 0.356
local terms energy: -44.709644
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: 3.228
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: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -247.300369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.300369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.300369 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.847
local terms energy: -73.047742
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.697
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: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -217.524503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.524503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.524503 (E_RNA)
where:
Base-Base interactions energy: -136.863
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.109
local terms energy: -80.552048
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -211.288339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.288339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.288339 (E_RNA)
where:
Base-Base interactions energy: -132.973
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.013
local terms energy: -78.302371
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -213.928566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.928566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.928566 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.186
local terms energy: -76.930154
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -173.579490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.579490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.579490 (E_RNA)
where:
Base-Base interactions energy: -106.034
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.037
local terms energy: -67.508864
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -11.885
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: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -112.690821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.690821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.690821 (E_RNA)
where:
Base-Base interactions energy: -51.869
where: short stacking energy: -42.420
Base-Backbone interact. energy: -0.017
local terms energy: -60.805188
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -106.586116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.586116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.586116 (E_RNA)
where:
Base-Base interactions energy: -45.982
where: short stacking energy: -37.003
Base-Backbone interact. energy: -0.442
local terms energy: -60.162367
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.120
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: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -94.438263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438263 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -31.725
Base-Backbone interact. energy: -0.189
local terms energy: -54.766526
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -155.820937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.820937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.820937 (E_RNA)
where:
Base-Base interactions energy: -104.734
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.196
local terms energy: -50.891676
where:
bonds (distance) C4'-P energy: -6.941
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -85.275037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275037 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -28.912
Base-Backbone interact. energy: -1.030
local terms energy: -39.886877
where:
bonds (distance) C4'-P energy: -5.356
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -1.433
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: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -253.109429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.109429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.109429 (E_RNA)
where:
Base-Base interactions energy: -179.335
where: short stacking energy: -74.867
Base-Backbone interact. energy: -1.466
local terms energy: -72.308305
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -7.126
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: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -223.794187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.794187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.794187 (E_RNA)
where:
Base-Base interactions energy: -141.504
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.569
local terms energy: -81.721716
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -20.543
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: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -207.381085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.381085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.381085 (E_RNA)
where:
Base-Base interactions energy: -129.428
where: short stacking energy: -73.153
Base-Backbone interact. energy: -1.187
local terms energy: -76.766232
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -18.346
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -173.182820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.182820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.182820 (E_RNA)
where:
Base-Base interactions energy: -97.237
where: short stacking energy: -54.408
Base-Backbone interact. energy: 0.548
local terms energy: -76.493732
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.907
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: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -216.412761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.412761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.412761 (E_RNA)
where:
Base-Base interactions energy: -133.063
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.119
local terms energy: -83.230905
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -21.554
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -147.734037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.734037 (E_RNA)
where:
Base-Base interactions energy: -84.704
where: short stacking energy: -35.451
Base-Backbone interact. energy: -0.265
local terms energy: -62.765352
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -9.877
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -98.274330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.274330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.274330 (E_RNA)
where:
Base-Base interactions energy: -49.644
where: short stacking energy: -44.459
Base-Backbone interact. energy: -0.150
local terms energy: -48.480438
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -135.278702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.278702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.278702 (E_RNA)
where:
Base-Base interactions energy: -83.583
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.279
local terms energy: -51.416818
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -3.701
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: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -86.969214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.969214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.969214 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -23.717
Base-Backbone interact. energy: -0.704
local terms energy: -50.218879
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -84.361903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.361903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.361903 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.041
local terms energy: -53.347087
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -8.426
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: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -255.020910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.020910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.020910 (E_RNA)
where:
Base-Base interactions energy: -174.720
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.263
local terms energy: -80.037702
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -225.712760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.712760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.712760 (E_RNA)
where:
Base-Base interactions energy: -144.814
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.345
local terms energy: -80.554249
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -211.462983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.462983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.462983 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.248
local terms energy: -79.495520
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -184.688318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.688318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.688318 (E_RNA)
where:
Base-Base interactions energy: -114.353
where: short stacking energy: -57.277
Base-Backbone interact. energy: -0.103
local terms energy: -70.231889
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -12.243
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: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -137.545486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.545486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.545486 (E_RNA)
where:
Base-Base interactions energy: -73.115
where: short stacking energy: -32.935
Base-Backbone interact. energy: 1.078
local terms energy: -65.508128
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -200.173252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.173252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.173252 (E_RNA)
where:
Base-Base interactions energy: -128.711
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.002
local terms energy: -71.460151
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.687
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: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -155.011685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.011685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.011685 (E_RNA)
where:
Base-Base interactions energy: -84.404
where: short stacking energy: -43.254
Base-Backbone interact. energy: 0.249
local terms energy: -70.856096
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -86.587414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.587414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.587414 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.173
local terms energy: -48.979222
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -92.797395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797395 (E_RNA)
where:
Base-Base interactions energy: -46.143
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.230
local terms energy: -46.423448
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -4.840
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: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -84.642610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642610 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.037
local terms energy: -52.642624
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -254.352458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.352458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.352458 (E_RNA)
where:
Base-Base interactions energy: -168.655
where: short stacking energy: -71.619
Base-Backbone interact. energy: 0.349
local terms energy: -86.046427
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -223.029348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.029348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.029348 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -76.024
Base-Backbone interact. energy: -1.533
local terms energy: -85.003538
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -216.023229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.023229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.023229 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.481
local terms energy: -78.487678
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -188.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.035860 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.262
local terms energy: -71.701116
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -11.913
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: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -121.153095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.153095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.153095 (E_RNA)
where:
Base-Base interactions energy: -61.769
where: short stacking energy: -40.914
Base-Backbone interact. energy: -0.304
local terms energy: -59.080736
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -9.333
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -153.221521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.221521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.221521 (E_RNA)
where:
Base-Base interactions energy: -101.362
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.112
local terms energy: -51.747720
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -5.313
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: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -183.582080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.582080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.582080 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.918
local terms energy: -60.940885
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -13.073
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: 137
Temperature: 1.250000
Total energy: -90.439251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.439251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.439251 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -33.775
Base-Backbone interact. energy: 2.369
local terms energy: -50.592525
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: 1.466
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: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -87.409845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409845 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.264
local terms energy: -50.136636
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -80.517758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.517758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.517758 (E_RNA)
where:
Base-Base interactions energy: -23.704
where: short stacking energy: -23.704
Base-Backbone interact. energy: 1.058
local terms energy: -57.871828
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -3.281
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -254.187966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.187966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.187966 (E_RNA)
where:
Base-Base interactions energy: -174.573
where: short stacking energy: -82.827
Base-Backbone interact. energy: -1.394
local terms energy: -78.221729
where:
bonds (distance) C4'-P energy: -7.134
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -23.552
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: 138
Temperature: 0.950000
Total energy: -212.378554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.378554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.378554 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.749
local terms energy: -77.507631
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -199.000555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.000555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.000555 (E_RNA)
where:
Base-Base interactions energy: -128.060
where: short stacking energy: -48.799
Base-Backbone interact. energy: -1.297
local terms energy: -69.642994
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -193.846024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.846024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.846024 (E_RNA)
where:
Base-Base interactions energy: -120.942
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.545
local terms energy: -72.358664
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -176.569776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569776 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.775
local terms energy: -60.164399
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -12.437
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: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -169.329590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.329590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.329590 (E_RNA)
where:
Base-Base interactions energy: -102.074
where: short stacking energy: -51.219
Base-Backbone interact. energy: -0.555
local terms energy: -66.701075
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -159.823572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.823572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.823572 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.879
local terms energy: -59.870508
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -88.053748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.053748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.053748 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -32.795
Base-Backbone interact. energy: -0.743
local terms energy: -53.501404
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -2.213
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: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -97.826455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.826455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.826455 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.226
local terms energy: -52.833768
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -3.568
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -82.523497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523497 (E_RNA)
where:
Base-Base interactions energy: -31.060
where: short stacking energy: -25.439
Base-Backbone interact. energy: -0.476
local terms energy: -50.987183
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -256.073472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.073472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.073472 (E_RNA)
where:
Base-Base interactions energy: -175.237
where: short stacking energy: -82.187
Base-Backbone interact. energy: -0.483
local terms energy: -80.353839
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -20.825
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -210.266302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.266302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.266302 (E_RNA)
where:
Base-Base interactions energy: -129.044
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.400
local terms energy: -80.822461
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -210.636491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.636491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.636491 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -71.034
Base-Backbone interact. energy: -1.128
local terms energy: -76.908511
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -199.698572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.698572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698572 (E_RNA)
where:
Base-Base interactions energy: -118.820
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.077
local terms energy: -80.801613
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -183.085004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.085004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.085004 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.458
local terms energy: -71.778404
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -14.572
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -183.961673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.961673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.961673 (E_RNA)
where:
Base-Base interactions energy: -117.769
where: short stacking energy: -48.799
Base-Backbone interact. energy: -1.563
local terms energy: -64.629713
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -10.797
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -182.517225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517225 (E_RNA)
where:
Base-Base interactions energy: -114.822
where: short stacking energy: -48.811
Base-Backbone interact. energy: -0.516
local terms energy: -67.179747
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -14.926
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: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -87.361757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361757 (E_RNA)
where:
Base-Base interactions energy: -28.051
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.939
local terms energy: -58.371754
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -88.811605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.811605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.811605 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -33.079
Base-Backbone interact. energy: -0.102
local terms energy: -55.482554
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -5.419
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -90.699021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.699021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.699021 (E_RNA)
where:
Base-Base interactions energy: -44.343
where: short stacking energy: -27.471
Base-Backbone interact. energy: -0.254
local terms energy: -46.101575
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -248.069670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.069670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.069670 (E_RNA)
where:
Base-Base interactions energy: -165.735
where: short stacking energy: -77.340
Base-Backbone interact. energy: -1.521
local terms energy: -80.814094
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -197.747840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.747840 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.241
local terms energy: -72.081453
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -219.926846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.926846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926846 (E_RNA)
where:
Base-Base interactions energy: -136.746
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.010
local terms energy: -83.170436
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -206.990322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990322 (E_RNA)
where:
Base-Base interactions energy: -129.727
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.131
local terms energy: -77.132873
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -9.870
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: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -200.260033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.260033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.260033 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.071
local terms energy: -69.742931
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -176.777440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.777440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.777440 (E_RNA)
where:
Base-Base interactions energy: -106.279
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.048
local terms energy: -70.450513
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -115.819007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.819007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.819007 (E_RNA)
where:
Base-Base interactions energy: -49.139
where: short stacking energy: -49.139
Base-Backbone interact. energy: -1.409
local terms energy: -65.271201
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -172.464400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464400 (E_RNA)
where:
Base-Base interactions energy: -120.457
where: short stacking energy: -42.124
Base-Backbone interact. energy: -0.331
local terms energy: -51.676702
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -10.168
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -103.963071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.963071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.963071 (E_RNA)
where:
Base-Base interactions energy: -45.443
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.005
local terms energy: -58.514569
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -102.020872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.020872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.020872 (E_RNA)
where:
Base-Base interactions energy: -55.227
where: short stacking energy: -32.082
Base-Backbone interact. energy: -0.271
local terms energy: -46.523259
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -4.221
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: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -247.214144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.214144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.214144 (E_RNA)
where:
Base-Base interactions energy: -162.772
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.796
local terms energy: -83.645464
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.548
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: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -236.954816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.954816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.954816 (E_RNA)
where:
Base-Base interactions energy: -153.308
where: short stacking energy: -88.540
Base-Backbone interact. energy: -0.926
local terms energy: -82.721038
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -10.446
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: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -209.075969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075969 (E_RNA)
where:
Base-Base interactions energy: -133.210
where: short stacking energy: -61.697
Base-Backbone interact. energy: -0.917
local terms energy: -74.949105
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -217.337815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.337815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.337815 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -80.052
Base-Backbone interact. energy: -0.885
local terms energy: -78.374911
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -181.914761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.914761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.914761 (E_RNA)
where:
Base-Base interactions energy: -108.407
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.150
local terms energy: -73.357366
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -190.755449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.755449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.755449 (E_RNA)
where:
Base-Base interactions energy: -116.946
where: short stacking energy: -63.731
Base-Backbone interact. energy: -1.229
local terms energy: -72.580211
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -14.284
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: 141
Temperature: 1.200000
Total energy: -98.295446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.295446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.295446 (E_RNA)
where:
Base-Base interactions energy: -38.560
where: short stacking energy: -38.560
Base-Backbone interact. energy: -0.324
local terms energy: -59.412384
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -171.607393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.607393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.607393 (E_RNA)
where:
Base-Base interactions energy: -110.103
where: short stacking energy: -51.040
Base-Backbone interact. energy: 0.673
local terms energy: -62.177473
where:
bonds (distance) C4'-P energy: -6.021
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -14.494
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: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -90.159499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159499 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -23.597
Base-Backbone interact. energy: -0.204
local terms energy: -58.960715
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -87.739782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739782 (E_RNA)
where:
Base-Base interactions energy: -45.081
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.166
local terms energy: -42.493550
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -6.987
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: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -249.708188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.708188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.708188 (E_RNA)
where:
Base-Base interactions energy: -176.183
where: short stacking energy: -78.573
Base-Backbone interact. energy: -0.991
local terms energy: -72.533965
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -234.216965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.216965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.216965 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -85.671
Base-Backbone interact. energy: -0.543
local terms energy: -86.221283
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -203.941676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.941676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.941676 (E_RNA)
where:
Base-Base interactions energy: -126.019
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.001
local terms energy: -77.921435
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -17.981
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -189.618056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.618056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.618056 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -50.222
Base-Backbone interact. energy: 0.179
local terms energy: -71.423987
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -205.363273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.363273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.363273 (E_RNA)
where:
Base-Base interactions energy: -131.038
where: short stacking energy: -67.691
Base-Backbone interact. energy: 0.713
local terms energy: -75.038884
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -183.614323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.614323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.614323 (E_RNA)
where:
Base-Base interactions energy: -114.426
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.638
local terms energy: -68.550265
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -11.828
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: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -186.705026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.705026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.705026 (E_RNA)
where:
Base-Base interactions energy: -115.566
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.733
local terms energy: -70.406102
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -99.664149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.664149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.664149 (E_RNA)
where:
Base-Base interactions energy: -42.049
where: short stacking energy: -42.049
Base-Backbone interact. energy: -0.007
local terms energy: -57.607866
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -11.258
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: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -93.616002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616002 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.182
local terms energy: -62.685395
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -92.450341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450341 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -34.312
Base-Backbone interact. energy: -0.233
local terms energy: -54.035196
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.544
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: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -243.097740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097740 (E_RNA)
where:
Base-Base interactions energy: -165.739
where: short stacking energy: -69.177
Base-Backbone interact. energy: 1.654
local terms energy: -79.012526
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -224.308471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.308471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.308471 (E_RNA)
where:
Base-Base interactions energy: -148.787
where: short stacking energy: -78.285
Base-Backbone interact. energy: 0.792
local terms energy: -76.313168
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -23.816
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: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -214.580242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.580242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.580242 (E_RNA)
where:
Base-Base interactions energy: -140.268
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.023
local terms energy: -74.288632
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -20.004
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: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -205.537056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.537056 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.087
local terms energy: -78.913781
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -12.295
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -216.175856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175856 (E_RNA)
where:
Base-Base interactions energy: -147.276
where: short stacking energy: -66.023
Base-Backbone interact. energy: 0.963
local terms energy: -69.863197
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -186.320953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.320953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320953 (E_RNA)
where:
Base-Base interactions energy: -119.663
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.173
local terms energy: -66.485339
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -177.332762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.332762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.332762 (E_RNA)
where:
Base-Base interactions energy: -110.583
where: short stacking energy: -47.196
Base-Backbone interact. energy: 0.536
local terms energy: -67.285822
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -109.654168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.654168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.654168 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.313
local terms energy: -61.302873
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -6.372
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: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -89.282907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.282907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.282907 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.139
local terms energy: -52.089395
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -8.916
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -87.638237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.638237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.638237 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.030
local terms energy: -61.227930
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -243.386150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.386150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.386150 (E_RNA)
where:
Base-Base interactions energy: -168.033
where: short stacking energy: -71.973
Base-Backbone interact. energy: -0.292
local terms energy: -75.060817
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -17.985
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -223.631780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.631780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.631780 (E_RNA)
where:
Base-Base interactions energy: -140.732
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.054
local terms energy: -82.845278
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -217.750939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.750939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.750939 (E_RNA)
where:
Base-Base interactions energy: -129.520
where: short stacking energy: -69.706
Base-Backbone interact. energy: 0.309
local terms energy: -88.540376
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -206.755855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.755855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.755855 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.056
local terms energy: -78.687558
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -223.422493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.422493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.422493 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.006
local terms energy: -83.958510
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -185.713883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.713883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.713883 (E_RNA)
where:
Base-Base interactions energy: -116.474
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.069
local terms energy: -69.170285
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -158.523198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.523198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.523198 (E_RNA)
where:
Base-Base interactions energy: -94.664
where: short stacking energy: -43.155
Base-Backbone interact. energy: 0.346
local terms energy: -64.205113
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -10.635
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -105.839503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.839503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.839503 (E_RNA)
where:
Base-Base interactions energy: -52.613
where: short stacking energy: -35.005
Base-Backbone interact. energy: -0.851
local terms energy: -52.375704
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -5.171
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -90.650311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.650311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.650311 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -34.136
Base-Backbone interact. energy: -0.390
local terms energy: -54.709717
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.085
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: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -81.858770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.858770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.858770 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.320
local terms energy: -50.145242
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -1.244
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -253.222053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.222053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.222053 (E_RNA)
where:
Base-Base interactions energy: -170.562
where: short stacking energy: -71.787
Base-Backbone interact. energy: -0.237
local terms energy: -82.422657
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -211.308896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.308896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.308896 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.638
local terms energy: -75.213910
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -216.628624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.628624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.628624 (E_RNA)
where:
Base-Base interactions energy: -137.104
where: short stacking energy: -73.863
Base-Backbone interact. energy: -0.610
local terms energy: -78.914614
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -14.144
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: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -207.531659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.531659 (E_RNA)
where:
Base-Base interactions energy: -129.980
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.422
local terms energy: -77.129350
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -197.620851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.620851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.620851 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.085
local terms energy: -74.971901
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -15.455
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: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -192.329850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329850 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.002
local terms energy: -63.727783
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -151.955211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.955211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.955211 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.702
local terms energy: -52.380600
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -1.914
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -102.134842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.134842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.134842 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -43.374
Base-Backbone interact. energy: -0.271
local terms energy: -53.231642
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -0.617
tors. eta vs tors. theta energy: -9.161
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: 145
Temperature: 1.300000
Total energy: -86.997232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997232 (E_RNA)
where:
Base-Base interactions energy: -31.733
where: short stacking energy: -30.730
Base-Backbone interact. energy: -0.270
local terms energy: -54.994332
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -83.510503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.510503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.510503 (E_RNA)
where:
Base-Base interactions energy: -31.483
where: short stacking energy: -31.483
Base-Backbone interact. energy: -0.307
local terms energy: -51.720544
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -248.143712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.143712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.143712 (E_RNA)
where:
Base-Base interactions energy: -166.970
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.359
local terms energy: -80.814806
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -207.164645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.164645 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.696
local terms energy: -80.341685
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -213.099489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.099489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.099489 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.086
local terms energy: -72.825220
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -198.864009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.864009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.864009 (E_RNA)
where:
Base-Base interactions energy: -117.557
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.109
local terms energy: -81.197705
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -17.734
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: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -177.470586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.470586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.470586 (E_RNA)
where:
Base-Base interactions energy: -115.243
where: short stacking energy: -55.375
Base-Backbone interact. energy: 0.107
local terms energy: -62.334935
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -164.547235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.547235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.547235 (E_RNA)
where:
Base-Base interactions energy: -98.727
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.798
local terms energy: -65.021640
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -178.593719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593719 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.105
local terms energy: -65.574193
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -101.038927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.038927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.038927 (E_RNA)
where:
Base-Base interactions energy: -48.061
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.057
local terms energy: -52.920811
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -8.512
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: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -88.483818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.483818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.483818 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -27.669
Base-Backbone interact. energy: 0.070
local terms energy: -56.795178
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -3.671
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -91.900273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900273 (E_RNA)
where:
Base-Base interactions energy: -43.832
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.370
local terms energy: -47.698596
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -245.889317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.889317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.889317 (E_RNA)
where:
Base-Base interactions energy: -172.239
where: short stacking energy: -67.563
Base-Backbone interact. energy: -0.091
local terms energy: -73.559475
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -225.770506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.770506 (E_RNA)
where:
Base-Base interactions energy: -151.231
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.005
local terms energy: -74.534060
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -179.986316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.986316 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.767
local terms energy: -70.578495
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -183.354086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.354086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.354086 (E_RNA)
where:
Base-Base interactions energy: -104.566
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.270
local terms energy: -78.518417
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -191.404475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.404475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404475 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.066
local terms energy: -72.908582
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -177.359994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.359994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.359994 (E_RNA)
where:
Base-Base interactions energy: -112.176
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.403
local terms energy: -64.780546
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -11.849
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: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -163.851377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.851377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.851377 (E_RNA)
where:
Base-Base interactions energy: -97.503
where: short stacking energy: -51.407
Base-Backbone interact. energy: -1.299
local terms energy: -65.049559
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -109.937815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.937815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.937815 (E_RNA)
where:
Base-Base interactions energy: -42.312
where: short stacking energy: -41.882
Base-Backbone interact. energy: -0.079
local terms energy: -67.547383
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -9.835
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: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -109.587436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.587436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.587436 (E_RNA)
where:
Base-Base interactions energy: -49.243
where: short stacking energy: -47.256
Base-Backbone interact. energy: 0.160
local terms energy: -60.503875
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -7.738
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -92.303103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.303103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.303103 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.113
local terms energy: -57.740219
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -9.399
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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -246.306709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.306709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.306709 (E_RNA)
where:
Base-Base interactions energy: -169.926
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.207
local terms energy: -76.174014
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -16.585
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: 148
Temperature: 0.950000
Total energy: -236.033814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.033814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.033814 (E_RNA)
where:
Base-Base interactions energy: -153.094
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.052
local terms energy: -82.887193
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -188.145523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.145523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.145523 (E_RNA)
where:
Base-Base interactions energy: -112.800
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.400
local terms energy: -74.944936
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.036
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: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -206.098219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.098219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.098219 (E_RNA)
where:
Base-Base interactions energy: -135.560
where: short stacking energy: -66.867
Base-Backbone interact. energy: -1.389
local terms energy: -69.149631
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -191.961971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.961971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.961971 (E_RNA)
where:
Base-Base interactions energy: -121.169
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.130
local terms energy: -70.663046
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -172.514963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.514963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.514963 (E_RNA)
where:
Base-Base interactions energy: -110.052
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.401
local terms energy: -62.062278
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -186.859447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859447 (E_RNA)
where:
Base-Base interactions energy: -121.614
where: short stacking energy: -63.653
Base-Backbone interact. energy: 0.715
local terms energy: -65.959886
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -98.208002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.208002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.208002 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.007
local terms energy: -60.657789
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -9.799
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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -92.978012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978012 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -30.472
Base-Backbone interact. energy: -0.220
local terms energy: -59.057278
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -90.012515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012515 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -34.476
Base-Backbone interact. energy: -0.199
local terms energy: -50.646144
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -244.804550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.804550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.804550 (E_RNA)
where:
Base-Base interactions energy: -162.021
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.334
local terms energy: -82.449514
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -240.567762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567762 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.027
local terms energy: -75.657027
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -204.864622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.864622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.864622 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.243
local terms energy: -73.784206
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -198.915266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.915266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.915266 (E_RNA)
where:
Base-Base interactions energy: -126.643
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.343
local terms energy: -71.928774
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -200.687765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.687765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.687765 (E_RNA)
where:
Base-Base interactions energy: -127.783
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.168
local terms energy: -72.737244
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -15.980
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: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -199.043015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.043015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.043015 (E_RNA)
where:
Base-Base interactions energy: -126.140
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.001
local terms energy: -72.902303
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -8.795
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: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -158.150360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.150360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.150360 (E_RNA)
where:
Base-Base interactions energy: -88.213
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.010
local terms energy: -69.926613
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -86.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.871218 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.199
local terms energy: -53.898562
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -95.461933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.461933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.461933 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.088
local terms energy: -59.991303
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.469513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.469513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.469513 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -23.181
Base-Backbone interact. energy: -0.814
local terms energy: -51.248342
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -247.354413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.354413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.354413 (E_RNA)
where:
Base-Base interactions energy: -171.863
where: short stacking energy: -74.055
Base-Backbone interact. energy: 0.459
local terms energy: -75.950200
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -11.635
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: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -240.275125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.275125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.275125 (E_RNA)
where:
Base-Base interactions energy: -155.559
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.188
local terms energy: -84.527858
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -221.827107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.827107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.827107 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.773
local terms energy: -78.440392
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -191.428202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428202 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -59.045
Base-Backbone interact. energy: -0.231
local terms energy: -67.369111
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -206.618764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.618764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.618764 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.326
local terms energy: -76.556113
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -200.990396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990396 (E_RNA)
where:
Base-Base interactions energy: -129.194
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.118
local terms energy: -71.678724
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -168.524173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.524173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.524173 (E_RNA)
where:
Base-Base interactions energy: -108.822
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.101
local terms energy: -59.601283
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -92.616718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616718 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -30.017
Base-Backbone interact. energy: -0.228
local terms energy: -60.501306
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -5.862
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: 150
Temperature: 1.300000
Total energy: -85.835038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835038 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.086
local terms energy: -52.579774
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -2.810
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.933727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.933727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.933727 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -21.683
Base-Backbone interact. energy: -0.194
local terms energy: -52.997980
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -0.565
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: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -243.689356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.689356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.689356 (E_RNA)
where:
Base-Base interactions energy: -171.036
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.780
local terms energy: -71.873132
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -19.289
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: 151
Temperature: 0.950000
Total energy: -219.441643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.441643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.441643 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -70.339
Base-Backbone interact. energy: -0.418
local terms energy: -81.496361
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.751
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -231.296530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.296530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.296530 (E_RNA)
where:
Base-Base interactions energy: -154.594
where: short stacking energy: -75.784
Base-Backbone interact. energy: -0.296
local terms energy: -76.406532
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -199.137331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.137331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.137331 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.714
local terms energy: -75.266719
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -180.597485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.597485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.597485 (E_RNA)
where:
Base-Base interactions energy: -110.433
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.692
local terms energy: -69.472226
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -171.442808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.442808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.442808 (E_RNA)
where:
Base-Base interactions energy: -95.470
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.280
local terms energy: -75.692562
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -177.869101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.869101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.869101 (E_RNA)
where:
Base-Base interactions energy: -105.892
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.098
local terms energy: -71.878822
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.426
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: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -88.624168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.624168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.624168 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -33.802
Base-Backbone interact. energy: -1.223
local terms energy: -53.225179
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -5.441
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -90.907630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.907630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.907630 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -30.970
Base-Backbone interact. energy: 0.716
local terms energy: -56.389595
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -82.271057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.271057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.271057 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.056
local terms energy: -46.829749
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -247.736593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.736593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.736593 (E_RNA)
where:
Base-Base interactions energy: -164.352
where: short stacking energy: -76.798
Base-Backbone interact. energy: -1.241
local terms energy: -82.143968
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.164
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: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -230.043924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043924 (E_RNA)
where:
Base-Base interactions energy: -147.487
where: short stacking energy: -79.128
Base-Backbone interact. energy: -0.167
local terms energy: -82.389478
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -231.242803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.242803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242803 (E_RNA)
where:
Base-Base interactions energy: -153.110
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.095
local terms energy: -78.038420
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -212.900915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.900915 (E_RNA)
where:
Base-Base interactions energy: -132.040
where: short stacking energy: -67.671
Base-Backbone interact. energy: 0.183
local terms energy: -81.043813
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -200.033734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.033734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033734 (E_RNA)
where:
Base-Base interactions energy: -128.634
where: short stacking energy: -58.422
Base-Backbone interact. energy: -1.835
local terms energy: -69.564836
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -15.907
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: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -192.246853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.246853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.246853 (E_RNA)
where:
Base-Base interactions energy: -111.984
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.224
local terms energy: -80.038145
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -169.127790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.127790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.127790 (E_RNA)
where:
Base-Base interactions energy: -97.781
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.146
local terms energy: -71.200962
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -14.785
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: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -99.340148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.340148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.340148 (E_RNA)
where:
Base-Base interactions energy: -48.472
where: short stacking energy: -39.202
Base-Backbone interact. energy: 0.683
local terms energy: -51.550964
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -10.294
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -78.727256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.727256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.727256 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -25.235
Base-Backbone interact. energy: -0.436
local terms energy: -49.327236
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -4.349
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: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.517286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.517286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.517286 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.227
local terms energy: -38.847798
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -1.076
flat angles P-C4'-P energy: -4.158
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -253.156559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.156559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.156559 (E_RNA)
where:
Base-Base interactions energy: -171.569
where: short stacking energy: -72.869
Base-Backbone interact. energy: -0.241
local terms energy: -81.346536
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.693
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: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -235.721939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.721939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.721939 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -76.323
Base-Backbone interact. energy: -0.028
local terms energy: -81.010185
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.460
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: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -214.590757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.590757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.590757 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.716
local terms energy: -72.471079
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -9.505
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: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -209.911690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.911690 (E_RNA)
where:
Base-Base interactions energy: -139.397
where: short stacking energy: -66.939
Base-Backbone interact. energy: -0.137
local terms energy: -70.377352
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -195.054876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.054876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.054876 (E_RNA)
where:
Base-Base interactions energy: -120.722
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.017
local terms energy: -74.314983
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -184.544079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.544079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.544079 (E_RNA)
where:
Base-Base interactions energy: -112.915
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.114
local terms energy: -71.515006
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -15.097
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -181.224358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.224358 (E_RNA)
where:
Base-Base interactions energy: -112.585
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.466
local terms energy: -68.174172
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -17.980
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: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -103.696677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.696677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.696677 (E_RNA)
where:
Base-Base interactions energy: -55.219
where: short stacking energy: -51.625
Base-Backbone interact. energy: -0.030
local terms energy: -48.447278
where:
bonds (distance) C4'-P energy: -2.648
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -103.675349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.675349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.675349 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -41.350
Base-Backbone interact. energy: -0.347
local terms energy: -61.978243
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.299
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: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -90.690454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690454 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.070
local terms energy: -55.619043
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -3.968
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: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -241.450148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.450148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.450148 (E_RNA)
where:
Base-Base interactions energy: -165.537
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.313
local terms energy: -75.600477
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -19.591
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -246.130664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.130664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.130664 (E_RNA)
where:
Base-Base interactions energy: -172.338
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.791
local terms energy: -73.001876
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -18.437
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: 154
Temperature: 1.000000
Total energy: -202.293458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293458 (E_RNA)
where:
Base-Base interactions energy: -126.891
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.373
local terms energy: -75.029141
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -212.520157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520157 (E_RNA)
where:
Base-Base interactions energy: -133.272
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.571
local terms energy: -78.676920
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -192.663274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.663274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663274 (E_RNA)
where:
Base-Base interactions energy: -114.448
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.021
local terms energy: -78.194396
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.073
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: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -166.037529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.037529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.037529 (E_RNA)
where:
Base-Base interactions energy: -99.858
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.597
local terms energy: -65.583115
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -157.712856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.712856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.712856 (E_RNA)
where:
Base-Base interactions energy: -95.619
where: short stacking energy: -48.153
Base-Backbone interact. energy: -0.750
local terms energy: -61.343925
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -95.310819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.310819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.310819 (E_RNA)
where:
Base-Base interactions energy: -43.105
where: short stacking energy: -23.372
Base-Backbone interact. energy: -0.819
local terms energy: -51.386802
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -91.767955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.767955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.767955 (E_RNA)
where:
Base-Base interactions energy: -42.746
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.099
local terms energy: -48.922364
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -0.440
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -81.301861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.301861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.301861 (E_RNA)
where:
Base-Base interactions energy: -28.238
where: short stacking energy: -24.485
Base-Backbone interact. energy: -0.011
local terms energy: -53.052124
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: 0.540
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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -237.113150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.113150 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.014
local terms energy: -83.118378
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.458
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: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -241.434052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.434052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434052 (E_RNA)
where:
Base-Base interactions energy: -167.636
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.771
local terms energy: -73.027144
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -209.001023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.001023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.001023 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -74.037
Base-Backbone interact. energy: -0.148
local terms energy: -77.907535
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -18.046
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: 155
Temperature: 1.050000
Total energy: -222.278500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.278500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.278500 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -75.312
Base-Backbone interact. energy: -0.023
local terms energy: -82.722760
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.427
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: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -191.350496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.350496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.350496 (E_RNA)
where:
Base-Base interactions energy: -114.864
where: short stacking energy: -52.297
Base-Backbone interact. energy: -0.212
local terms energy: -76.275008
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -12.435
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: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -176.501649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.501649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.501649 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -54.801
Base-Backbone interact. energy: -0.019
local terms energy: -59.389717
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -165.923733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.923733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.923733 (E_RNA)
where:
Base-Base interactions energy: -95.824
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.140
local terms energy: -69.959588
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.221
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: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -99.733562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.733562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.733562 (E_RNA)
where:
Base-Base interactions energy: -43.273
where: short stacking energy: -41.079
Base-Backbone interact. energy: 0.272
local terms energy: -56.732353
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -6.273
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: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -85.692544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.692544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.692544 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.344
local terms energy: -48.938867
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -93.071483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071483 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.107
local terms energy: -57.188856
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -250.107201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.107201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.107201 (E_RNA)
where:
Base-Base interactions energy: -175.450
where: short stacking energy: -86.062
Base-Backbone interact. energy: -0.695
local terms energy: -73.962098
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -20.254
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -233.319417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.319417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.319417 (E_RNA)
where:
Base-Base interactions energy: -161.490
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.075
local terms energy: -71.754471
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -9.466
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: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -204.781025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.781025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.781025 (E_RNA)
where:
Base-Base interactions energy: -130.307
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.196
local terms energy: -74.278402
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -199.606405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.606405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.606405 (E_RNA)
where:
Base-Base interactions energy: -126.556
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.114
local terms energy: -72.936441
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -211.472493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472493 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.956
local terms energy: -71.968282
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -193.440316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.440316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.440316 (E_RNA)
where:
Base-Base interactions energy: -118.674
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.019
local terms energy: -74.747719
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -187.509989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.509989 (E_RNA)
where:
Base-Base interactions energy: -123.830
where: short stacking energy: -71.243
Base-Backbone interact. energy: -0.204
local terms energy: -63.475670
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -17.233
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -98.239623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239623 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.898
local terms energy: -60.317550
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -12.407
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: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -100.040522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.040522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.040522 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -25.317
Base-Backbone interact. energy: -1.039
local terms energy: -58.211980
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -13.721
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: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -103.204372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.204372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.204372 (E_RNA)
where:
Base-Base interactions energy: -44.768
where: short stacking energy: -44.768
Base-Backbone interact. energy: 0.416
local terms energy: -58.853143
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -4.330
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: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -254.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.896826 (E_RNA)
where:
Base-Base interactions energy: -173.758
where: short stacking energy: -75.334
Base-Backbone interact. energy: -1.270
local terms energy: -79.868695
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.510
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: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -233.335186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.335186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.335186 (E_RNA)
where:
Base-Base interactions energy: -151.950
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.189
local terms energy: -81.196166
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -214.259721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259721 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.733
local terms energy: -77.026821
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -204.096964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.096964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.096964 (E_RNA)
where:
Base-Base interactions energy: -129.711
where: short stacking energy: -68.941
Base-Backbone interact. energy: -0.020
local terms energy: -74.365321
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -192.579461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.579461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.579461 (E_RNA)
where:
Base-Base interactions energy: -120.519
where: short stacking energy: -48.046
Base-Backbone interact. energy: -0.470
local terms energy: -71.590292
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -12.273
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: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -179.580403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.580403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.580403 (E_RNA)
where:
Base-Base interactions energy: -112.640
where: short stacking energy: -48.228
Base-Backbone interact. energy: -0.044
local terms energy: -66.895707
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -183.055547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055547 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.001
local terms energy: -66.526109
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -16.944
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: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -107.469564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.469564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.469564 (E_RNA)
where:
Base-Base interactions energy: -43.537
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.291
local terms energy: -63.642471
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -7.712
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: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -101.373765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.373765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.373765 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.179
local terms energy: -62.790738
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.123248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.123248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.123248 (E_RNA)
where:
Base-Base interactions energy: -28.022
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.096
local terms energy: -55.005293
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -256.907869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.907869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.907869 (E_RNA)
where:
Base-Base interactions energy: -168.591
where: short stacking energy: -74.777
Base-Backbone interact. energy: 0.094
local terms energy: -88.410632
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -233.976531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.976531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976531 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.005
local terms energy: -80.986838
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -22.609
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -200.098095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.098095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.098095 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -63.183
Base-Backbone interact. energy: 0.075
local terms energy: -78.025820
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -9.072
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -218.173602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.173602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.173602 (E_RNA)
where:
Base-Base interactions energy: -135.394
where: short stacking energy: -66.755
Base-Backbone interact. energy: -1.609
local terms energy: -81.169964
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -177.544790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544790 (E_RNA)
where:
Base-Base interactions energy: -109.920
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.229
local terms energy: -67.395746
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -14.788
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: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -193.634475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.634475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.634475 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.172
local terms energy: -73.832812
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -12.284
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: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -177.866858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.866858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.866858 (E_RNA)
where:
Base-Base interactions energy: -111.700
where: short stacking energy: -59.698
Base-Backbone interact. energy: 0.040
local terms energy: -66.207225
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -7.598
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: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -93.782418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.782418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.782418 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.122
local terms energy: -50.288571
where:
bonds (distance) C4'-P energy: -7.733
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -7.941
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -83.149126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.149126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.149126 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -23.439
Base-Backbone interact. energy: -1.060
local terms energy: -50.735480
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -84.496622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.496622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.496622 (E_RNA)
where:
Base-Base interactions energy: -29.240
where: short stacking energy: -29.240
Base-Backbone interact. energy: -0.398
local terms energy: -54.858651
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -257.760489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.760489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.760489 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.829
local terms energy: -83.757686
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -223.534453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.534453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.534453 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -76.418
Base-Backbone interact. energy: 1.309
local terms energy: -75.282623
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -6.155
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: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -221.894154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.894154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.894154 (E_RNA)
where:
Base-Base interactions energy: -145.440
where: short stacking energy: -87.925
Base-Backbone interact. energy: 0.532
local terms energy: -76.986091
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -22.141
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: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -199.994977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.994977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.994977 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.184
local terms energy: -65.695440
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -184.729161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.729161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.729161 (E_RNA)
where:
Base-Base interactions energy: -112.556
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.864
local terms energy: -71.308889
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -13.011
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -196.759862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.759862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759862 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -69.399
Base-Backbone interact. energy: -1.658
local terms energy: -62.425519
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -16.042
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -172.215432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215432 (E_RNA)
where:
Base-Base interactions energy: -115.487
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.099
local terms energy: -56.629895
where:
bonds (distance) C4'-P energy: -6.507
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -14.939
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: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -92.092523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092523 (E_RNA)
where:
Base-Base interactions energy: -44.269
where: short stacking energy: -20.836
Base-Backbone interact. energy: -0.517
local terms energy: -47.306083
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -92.769539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.769539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.769539 (E_RNA)
where:
Base-Base interactions energy: -36.240
where: short stacking energy: -22.104
Base-Backbone interact. energy: -0.269
local terms energy: -56.261442
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -5.536
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: 159
Temperature: 1.350000
Total energy: -87.827943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.827943 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.128
local terms energy: -51.698458
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -255.785325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.785325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.785325 (E_RNA)
where:
Base-Base interactions energy: -174.660
where: short stacking energy: -77.693
Base-Backbone interact. energy: -0.841
local terms energy: -80.284193
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -20.407
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -220.757933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757933 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -64.690
Base-Backbone interact. energy: 0.040
local terms energy: -69.482926
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.319
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: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -208.952516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952516 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.888
local terms energy: -72.153624
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -222.218825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.218825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.218825 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.042
local terms energy: -81.627053
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -12.438
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: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -200.859390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.859390 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.502
local terms energy: -75.933026
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -178.663429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.663429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.663429 (E_RNA)
where:
Base-Base interactions energy: -108.904
where: short stacking energy: -61.815
Base-Backbone interact. energy: -2.515
local terms energy: -67.243875
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -15.975
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: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -164.701633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701633 (E_RNA)
where:
Base-Base interactions energy: -99.063
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.192
local terms energy: -65.446204
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -103.639505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.639505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.639505 (E_RNA)
where:
Base-Base interactions energy: -45.731
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.383
local terms energy: -57.525229
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -98.672527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.672527 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.355
local terms energy: -52.137802
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -87.213212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.213212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.213212 (E_RNA)
where:
Base-Base interactions energy: -34.424
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.456
local terms energy: -52.333675
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: 0.740
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: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -246.416050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.416050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.416050 (E_RNA)
where:
Base-Base interactions energy: -162.562
where: short stacking energy: -78.375
Base-Backbone interact. energy: -0.100
local terms energy: -83.753866
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -227.267757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.267757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.267757 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.141
local terms energy: -81.302070
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -227.838665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.838665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.838665 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.951
local terms energy: -83.553764
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -204.175506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.175506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.175506 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.593
local terms energy: -71.558752
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -209.438285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438285 (E_RNA)
where:
Base-Base interactions energy: -134.096
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.171
local terms energy: -75.171938
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -167.581858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581858 (E_RNA)
where:
Base-Base interactions energy: -97.516
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.675
local terms energy: -69.390384
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -166.010615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.010615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.010615 (E_RNA)
where:
Base-Base interactions energy: -97.359
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.097
local terms energy: -68.554782
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -12.268
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: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -97.602122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.602122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.602122 (E_RNA)
where:
Base-Base interactions energy: -47.036
where: short stacking energy: -21.497
Base-Backbone interact. energy: -0.177
local terms energy: -50.388799
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -107.574126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.574126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.574126 (E_RNA)
where:
Base-Base interactions energy: -52.635
where: short stacking energy: -48.635
Base-Backbone interact. energy: -0.122
local terms energy: -54.817047
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -101.552345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.552345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.552345 (E_RNA)
where:
Base-Base interactions energy: -52.920
where: short stacking energy: -44.689
Base-Backbone interact. energy: -0.091
local terms energy: -48.540611
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -250.436674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.436674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.436674 (E_RNA)
where:
Base-Base interactions energy: -172.121
where: short stacking energy: -78.995
Base-Backbone interact. energy: 0.334
local terms energy: -78.649742
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -20.379
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: 162
Temperature: 0.950000
Total energy: -225.205706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.205706 (E_RNA)
where:
Base-Base interactions energy: -151.292
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.281
local terms energy: -73.632791
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.849
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: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -220.511056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.511056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.511056 (E_RNA)
where:
Base-Base interactions energy: -147.927
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.919
local terms energy: -71.665121
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -16.487
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: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -202.244580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.244580 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.298
local terms energy: -64.715570
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.508
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -187.063149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.063149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.063149 (E_RNA)
where:
Base-Base interactions energy: -120.254
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.016
local terms energy: -66.793383
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -172.164289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.164289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.164289 (E_RNA)
where:
Base-Base interactions energy: -98.955
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.108
local terms energy: -73.101700
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -164.489967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489967 (E_RNA)
where:
Base-Base interactions energy: -110.910
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.133
local terms energy: -53.447628
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -125.780123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.780123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.780123 (E_RNA)
where:
Base-Base interactions energy: -64.060
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.293
local terms energy: -61.427804
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.235
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: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -90.964984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.964984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.964984 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.317
local terms energy: -52.826255
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.287
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: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -108.552231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.552231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.552231 (E_RNA)
where:
Base-Base interactions energy: -67.161
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.143
local terms energy: -41.248333
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -240.413675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.413675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.413675 (E_RNA)
where:
Base-Base interactions energy: -162.999
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.130
local terms energy: -77.284027
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -217.939150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.939150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.939150 (E_RNA)
where:
Base-Base interactions energy: -140.956
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.733
local terms energy: -76.249660
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -227.975685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.975685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.975685 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.770
local terms energy: -73.408517
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -12.065
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: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -203.053759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.053759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.053759 (E_RNA)
where:
Base-Base interactions energy: -129.917
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.029
local terms energy: -73.107503
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -202.954638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.954638 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -61.991
Base-Backbone interact. energy: -0.035
local terms energy: -78.318013
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -167.946595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.946595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.946595 (E_RNA)
where:
Base-Base interactions energy: -95.922
where: short stacking energy: -53.437
Base-Backbone interact. energy: -0.116
local terms energy: -71.908613
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -161.056189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.056189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.056189 (E_RNA)
where:
Base-Base interactions energy: -96.785
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.182
local terms energy: -64.089304
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.514
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: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -95.136194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.136194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.136194 (E_RNA)
where:
Base-Base interactions energy: -42.661
where: short stacking energy: -34.349
Base-Backbone interact. energy: 1.673
local terms energy: -54.148479
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -81.427273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427273 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -30.240
Base-Backbone interact. energy: -0.128
local terms energy: -46.431499
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -6.082
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: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -79.147854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.147854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.147854 (E_RNA)
where:
Base-Base interactions energy: -19.766
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.388
local terms energy: -58.994433
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -246.615661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.615661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.615661 (E_RNA)
where:
Base-Base interactions energy: -161.684
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.184
local terms energy: -84.747559
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -19.135
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: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -225.412011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.412011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.412011 (E_RNA)
where:
Base-Base interactions energy: -138.504
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.350
local terms energy: -86.558740
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -229.717108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.717108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.717108 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.400
local terms energy: -83.756953
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -201.330930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.330930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330930 (E_RNA)
where:
Base-Base interactions energy: -129.153
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.023
local terms energy: -72.154377
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -17.688
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: 164
Temperature: 1.100000
Total energy: -191.954550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.954550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.954550 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -60.929
Base-Backbone interact. energy: -0.086
local terms energy: -70.204730
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -16.681
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: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -173.182923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.182923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.182923 (E_RNA)
where:
Base-Base interactions energy: -105.117
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.051
local terms energy: -68.014781
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -1.901
tors. eta vs tors. theta energy: -17.726
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: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -158.699086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.699086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.699086 (E_RNA)
where:
Base-Base interactions energy: -101.281
where: short stacking energy: -53.253
Base-Backbone interact. energy: -0.231
local terms energy: -57.187590
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -85.865408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.865408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.865408 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.130
local terms energy: -52.360480
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -90.332286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332286 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.204
local terms energy: -53.974072
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -97.732547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.732547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.732547 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -32.406
Base-Backbone interact. energy: -0.380
local terms energy: -56.844477
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -13.387
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -244.828749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.828749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.828749 (E_RNA)
where:
Base-Base interactions energy: -171.448
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.993
local terms energy: -72.388084
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -8.644
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: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -243.833258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.833258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.833258 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.476
local terms energy: -81.275050
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -223.791781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791781 (E_RNA)
where:
Base-Base interactions energy: -134.738
where: short stacking energy: -77.059
Base-Backbone interact. energy: -0.739
local terms energy: -88.314703
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.308
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: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -194.348934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.348934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348934 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.421
local terms energy: -75.394850
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.439
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: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -199.465999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.465999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.465999 (E_RNA)
where:
Base-Base interactions energy: -131.722
where: short stacking energy: -67.969
Base-Backbone interact. energy: -0.125
local terms energy: -67.619185
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -15.968
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: 165
Temperature: 1.150000
Total energy: -170.975940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.975940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.975940 (E_RNA)
where:
Base-Base interactions energy: -104.919
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.677
local terms energy: -65.380877
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -16.316
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: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -164.778951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.778951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.778951 (E_RNA)
where:
Base-Base interactions energy: -98.667
where: short stacking energy: -53.440
Base-Backbone interact. energy: -0.787
local terms energy: -65.325660
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -95.055975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.055975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.055975 (E_RNA)
where:
Base-Base interactions energy: -41.322
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.222
local terms energy: -53.512307
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -92.050427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.050427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.050427 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.453
local terms energy: -60.352349
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.932
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -92.988501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988501 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.116
local terms energy: -59.882700
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -13.066
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: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -239.529302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.529302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.529302 (E_RNA)
where:
Base-Base interactions energy: -157.536
where: short stacking energy: -79.512
Base-Backbone interact. energy: -0.004
local terms energy: -81.988995
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -11.826
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: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -238.227653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.227653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.227653 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.549
local terms energy: -76.547986
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -15.903
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: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -213.789709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.789709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.789709 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.067
local terms energy: -74.127919
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -6.378
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: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -199.378757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.378757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.378757 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.805
local terms energy: -70.212994
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -11.283
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: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -197.420836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.420836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.420836 (E_RNA)
where:
Base-Base interactions energy: -119.272
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.054
local terms energy: -78.095111
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -161.070516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.070516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.070516 (E_RNA)
where:
Base-Base interactions energy: -93.143
where: short stacking energy: -52.465
Base-Backbone interact. energy: -0.021
local terms energy: -67.907055
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -161.943762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.943762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.943762 (E_RNA)
where:
Base-Base interactions energy: -105.084
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.140
local terms energy: -56.719311
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -97.114376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.114376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.114376 (E_RNA)
where:
Base-Base interactions energy: -45.361
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.283
local terms energy: -51.470306
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -4.732
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: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -91.028550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.028550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.028550 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.014
local terms energy: -57.357724
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -10.095
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: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.803102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.803102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.803102 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -24.615
Base-Backbone interact. energy: -0.150
local terms energy: -53.648431
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -238.562707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.562707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.562707 (E_RNA)
where:
Base-Base interactions energy: -153.951
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.014
local terms energy: -84.598189
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -244.497121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.497121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.497121 (E_RNA)
where:
Base-Base interactions energy: -167.845
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.068
local terms energy: -76.584524
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.107
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: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -209.916098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.916098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.916098 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.634
local terms energy: -77.935558
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -214.678630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.678630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.678630 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.056
local terms energy: -78.777725
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -20.077
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: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -163.304422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.304422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.304422 (E_RNA)
where:
Base-Base interactions energy: -101.490
where: short stacking energy: -58.716
Base-Backbone interact. energy: -2.042
local terms energy: -59.772079
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -153.400082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.400082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.400082 (E_RNA)
where:
Base-Base interactions energy: -96.996
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.151
local terms energy: -56.252801
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -165.903949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.903949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.903949 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -60.228
Base-Backbone interact. energy: -1.736
local terms energy: -64.832815
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -111.464490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.464490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.464490 (E_RNA)
where:
Base-Base interactions energy: -53.526
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.474
local terms energy: -57.464407
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -100.446820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.446820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.446820 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -42.494
Base-Backbone interact. energy: -0.288
local terms energy: -57.795820
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -78.094371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094371 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.190
local terms energy: -44.489830
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -3.164
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: 0.154
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: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -252.096513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.096513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.096513 (E_RNA)
where:
Base-Base interactions energy: -167.372
where: short stacking energy: -73.772
Base-Backbone interact. energy: 0.041
local terms energy: -84.765556
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -239.790341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.790341 (E_RNA)
where:
Base-Base interactions energy: -155.424
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.016
local terms energy: -84.349549
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -193.428545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.428545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.428545 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.847
local terms energy: -66.925614
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -201.742132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.742132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.742132 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -63.658
Base-Backbone interact. energy: -1.426
local terms energy: -67.398585
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -187.674839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.674839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.674839 (E_RNA)
where:
Base-Base interactions energy: -116.413
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.716
local terms energy: -70.546232
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -161.973657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.973657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973657 (E_RNA)
where:
Base-Base interactions energy: -95.397
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.521
local terms energy: -66.055400
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -14.417
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: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -164.368477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.368477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.368477 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.350
local terms energy: -65.904488
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -112.520683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.520683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.520683 (E_RNA)
where:
Base-Base interactions energy: -57.526
where: short stacking energy: -25.159
Base-Backbone interact. energy: 1.251
local terms energy: -56.246263
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -9.037
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: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -103.428976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.428976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.428976 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -29.167
Base-Backbone interact. energy: 1.206
local terms energy: -61.253563
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -10.087
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: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -98.263400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.263400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.263400 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.103
local terms energy: -67.060579
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -257.587239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.587239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.587239 (E_RNA)
where:
Base-Base interactions energy: -176.605
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.262
local terms energy: -80.719933
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -229.818427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.818427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.818427 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -70.751
Base-Backbone interact. energy: -0.692
local terms energy: -74.661960
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -17.980
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: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -206.960000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.960000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.960000 (E_RNA)
where:
Base-Base interactions energy: -131.849
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.205
local terms energy: -74.906191
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -177.808895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.808895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.808895 (E_RNA)
where:
Base-Base interactions energy: -116.695
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.068
local terms energy: -61.045991
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -13.997
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: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -204.640661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.640661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.640661 (E_RNA)
where:
Base-Base interactions energy: -132.337
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.032
local terms energy: -72.271564
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -165.846714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846714 (E_RNA)
where:
Base-Base interactions energy: -97.077
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.025
local terms energy: -68.744572
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -14.403
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: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -202.826719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826719 (E_RNA)
where:
Base-Base interactions energy: -130.015
where: short stacking energy: -68.129
Base-Backbone interact. energy: 0.046
local terms energy: -72.857431
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -18.887
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: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -97.823254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823254 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -42.780
Base-Backbone interact. energy: -0.022
local terms energy: -54.233095
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -88.866962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866962 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.028
local terms energy: -56.434366
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: 1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -83.479249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479249 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.168
local terms energy: -52.548832
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: 1.832
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -234.477010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.477010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.477010 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.473
local terms energy: -85.646026
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -243.603439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.603439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.603439 (E_RNA)
where:
Base-Base interactions energy: -165.580
where: short stacking energy: -74.038
Base-Backbone interact. energy: -0.850
local terms energy: -77.174088
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -17.658
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: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -217.814650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.814650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.814650 (E_RNA)
where:
Base-Base interactions energy: -142.619
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.425
local terms energy: -74.771449
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -210.170656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.170656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.170656 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.001
local terms energy: -80.037700
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -168.043913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043913 (E_RNA)
where:
Base-Base interactions energy: -101.061
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.087
local terms energy: -66.895363
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -9.512
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -200.198731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.198731 (E_RNA)
where:
Base-Base interactions energy: -134.520
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.556
local terms energy: -65.122384
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -111.491987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.491987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.491987 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -45.552
Base-Backbone interact. energy: -0.174
local terms energy: -65.765960
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -10.657
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: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -186.186011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.186011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.186011 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -48.586
Base-Backbone interact. energy: -2.414
local terms energy: -61.672844
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -17.966
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -92.692883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.692883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.692883 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.577
local terms energy: -58.727315
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -5.530
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: 170
Temperature: 1.350000
Total energy: -77.521347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.521347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.521347 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -32.746
Base-Backbone interact. energy: 0.308
local terms energy: -42.994069
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -8.087
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -234.031365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.031365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.031365 (E_RNA)
where:
Base-Base interactions energy: -156.354
where: short stacking energy: -73.592
Base-Backbone interact. energy: -0.163
local terms energy: -77.514484
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.492
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: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -232.482280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.482280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.482280 (E_RNA)
where:
Base-Base interactions energy: -155.463
where: short stacking energy: -75.089
Base-Backbone interact. energy: 0.084
local terms energy: -77.103254
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -236.011004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.011004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.011004 (E_RNA)
where:
Base-Base interactions energy: -168.631
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.794
local terms energy: -66.586219
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -17.371
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: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -201.073439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.073439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.073439 (E_RNA)
where:
Base-Base interactions energy: -133.326
where: short stacking energy: -69.592
Base-Backbone interact. energy: 0.656
local terms energy: -68.403043
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -15.489
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: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -185.394431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.394431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.394431 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.240
local terms energy: -67.667446
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -174.428864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428864 (E_RNA)
where:
Base-Base interactions energy: -101.311
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.201
local terms energy: -72.916640
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -12.170
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: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -145.117760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.117760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.117760 (E_RNA)
where:
Base-Base interactions energy: -97.164
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.594
local terms energy: -47.359710
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -166.264846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.264846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.264846 (E_RNA)
where:
Base-Base interactions energy: -97.587
where: short stacking energy: -46.841
Base-Backbone interact. energy: -1.240
local terms energy: -67.438025
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -84.100840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.100840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.100840 (E_RNA)
where:
Base-Base interactions energy: -26.965
where: short stacking energy: -23.850
Base-Backbone interact. energy: 0.026
local terms energy: -57.161599
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -1.736
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: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -84.134808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134808 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.092
local terms energy: -52.262901
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -230.273099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.273099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.273099 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -77.961
Base-Backbone interact. energy: -0.272
local terms energy: -84.057583
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -227.040076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.040076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.040076 (E_RNA)
where:
Base-Base interactions energy: -150.861
where: short stacking energy: -71.754
Base-Backbone interact. energy: -0.231
local terms energy: -75.948323
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -246.031825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.031825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.031825 (E_RNA)
where:
Base-Base interactions energy: -166.832
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.546
local terms energy: -78.654137
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -227.933076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.933076 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.307
local terms energy: -89.689954
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -24.171
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: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -170.800199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.800199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.800199 (E_RNA)
where:
Base-Base interactions energy: -99.305
where: short stacking energy: -59.346
Base-Backbone interact. energy: 1.001
local terms energy: -72.495538
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -103.239455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.239455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.239455 (E_RNA)
where:
Base-Base interactions energy: -47.400
where: short stacking energy: -46.518
Base-Backbone interact. energy: 0.795
local terms energy: -56.634076
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -8.222
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -8.965
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: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -172.111407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111407 (E_RNA)
where:
Base-Base interactions energy: -108.921
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.345
local terms energy: -62.845941
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -121.250533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.250533 (E_RNA)
where:
Base-Base interactions energy: -61.983
where: short stacking energy: -40.901
Base-Backbone interact. energy: 0.032
local terms energy: -59.299971
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -87.816708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.816708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.816708 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -26.464
Base-Backbone interact. energy: -0.614
local terms energy: -58.807943
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -94.187846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.187846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.187846 (E_RNA)
where:
Base-Base interactions energy: -45.802
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.134
local terms energy: -48.251184
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -6.513
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: 173
Temperature: 0.900000
Total energy: -231.309146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.309146 (E_RNA)
where:
Base-Base interactions energy: -150.981
where: short stacking energy: -84.645
Base-Backbone interact. energy: -1.534
local terms energy: -78.793632
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -246.264490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.264490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.264490 (E_RNA)
where:
Base-Base interactions energy: -167.481
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.757
local terms energy: -78.026087
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -9.014
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: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -230.178480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178480 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.398
local terms energy: -81.199652
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -19.877
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: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -188.476916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.476916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.476916 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.022
local terms energy: -63.914964
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -210.683700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.683700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.683700 (E_RNA)
where:
Base-Base interactions energy: -130.326
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.756
local terms energy: -79.601314
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -187.021974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.021974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.021974 (E_RNA)
where:
Base-Base interactions energy: -117.751
where: short stacking energy: -54.371
Base-Backbone interact. energy: 0.784
local terms energy: -70.054794
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -118.439124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.439124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.439124 (E_RNA)
where:
Base-Base interactions energy: -58.279
where: short stacking energy: -36.900
Base-Backbone interact. energy: 1.007
local terms energy: -61.166929
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -100.446575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.446575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.446575 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -39.969
Base-Backbone interact. energy: 0.640
local terms energy: -58.715863
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -97.140584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.140584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.140584 (E_RNA)
where:
Base-Base interactions energy: -52.595
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.777
local terms energy: -43.769301
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -96.389142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.389142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.389142 (E_RNA)
where:
Base-Base interactions energy: -39.555
where: short stacking energy: -39.555
Base-Backbone interact. energy: -0.091
local terms energy: -56.743153
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -6.968
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: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -249.893533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.893533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.893533 (E_RNA)
where:
Base-Base interactions energy: -170.221
where: short stacking energy: -81.432
Base-Backbone interact. energy: -0.401
local terms energy: -79.271708
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -223.618620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.618620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.618620 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.138
local terms energy: -85.933884
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.551
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -229.598902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598902 (E_RNA)
where:
Base-Base interactions energy: -160.440
where: short stacking energy: -70.083
Base-Backbone interact. energy: 0.171
local terms energy: -69.329832
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -206.040402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.040402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.040402 (E_RNA)
where:
Base-Base interactions energy: -131.700
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.123
local terms energy: -74.217803
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -219.612699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.612699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.612699 (E_RNA)
where:
Base-Base interactions energy: -144.328
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.317
local terms energy: -74.967236
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -16.845
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: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -188.438412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.438412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.438412 (E_RNA)
where:
Base-Base interactions energy: -125.220
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.238
local terms energy: -62.980831
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -100.761940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.761940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761940 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.315
local terms energy: -54.076098
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -3.960
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: 174
Temperature: 1.250000
Total energy: -94.096981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.096981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.096981 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -34.030
Base-Backbone interact. energy: -0.102
local terms energy: -59.964881
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -93.748402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.748402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.748402 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.099
local terms energy: -47.938957
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: 0.049
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: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -79.106681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.106681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.106681 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.300
local terms energy: -53.904353
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -258.519676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.519676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.519676 (E_RNA)
where:
Base-Base interactions energy: -180.065
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.676
local terms energy: -77.778637
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -233.657223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.657223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.657223 (E_RNA)
where:
Base-Base interactions energy: -149.413
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.101
local terms energy: -84.142990
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -220.721797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.721797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.721797 (E_RNA)
where:
Base-Base interactions energy: -141.269
where: short stacking energy: -75.700
Base-Backbone interact. energy: -0.259
local terms energy: -79.193398
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -19.756
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: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -212.600118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.600118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.600118 (E_RNA)
where:
Base-Base interactions energy: -129.465
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.485
local terms energy: -82.650234
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -191.140010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140010 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.246
local terms energy: -57.782503
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -5.479
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: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -167.375125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.375125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.375125 (E_RNA)
where:
Base-Base interactions energy: -100.600
where: short stacking energy: -44.963
Base-Backbone interact. energy: 1.253
local terms energy: -68.028286
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -107.370985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.370985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.370985 (E_RNA)
where:
Base-Base interactions energy: -38.047
where: short stacking energy: -38.047
Base-Backbone interact. energy: 0.138
local terms energy: -69.461569
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -10.338
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: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -91.592762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592762 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.340
local terms energy: -44.806145
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 0.631
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -96.750802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.750802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.750802 (E_RNA)
where:
Base-Base interactions energy: -31.262
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.079
local terms energy: -65.410595
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.784
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: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -86.218978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218978 (E_RNA)
where:
Base-Base interactions energy: -35.333
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.076
local terms energy: -50.809718
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -0.839
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -256.246080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.246080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.246080 (E_RNA)
where:
Base-Base interactions energy: -176.630
where: short stacking energy: -78.023
Base-Backbone interact. energy: -0.406
local terms energy: -79.209758
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -237.712389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.712389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.712389 (E_RNA)
where:
Base-Base interactions energy: -157.566
where: short stacking energy: -72.459
Base-Backbone interact. energy: -0.411
local terms energy: -79.735886
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -221.554757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.554757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.554757 (E_RNA)
where:
Base-Base interactions energy: -138.874
where: short stacking energy: -74.003
Base-Backbone interact. energy: -0.425
local terms energy: -82.255704
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -10.798
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: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -191.476054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.476054 (E_RNA)
where:
Base-Base interactions energy: -115.149
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.362
local terms energy: -75.965066
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -200.370725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.370725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.370725 (E_RNA)
where:
Base-Base interactions energy: -126.982
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.325
local terms energy: -73.063851
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -185.022386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.022386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.022386 (E_RNA)
where:
Base-Base interactions energy: -113.494
where: short stacking energy: -53.670
Base-Backbone interact. energy: 0.557
local terms energy: -72.084803
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -105.174932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.174932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.174932 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.142
local terms energy: -66.294284
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -99.704214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.704214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.704214 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -32.648
Base-Backbone interact. energy: 0.534
local terms energy: -61.086223
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -9.139
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -94.180038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.180038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.180038 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.180
local terms energy: -48.850257
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -80.316632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316632 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -32.917
Base-Backbone interact. energy: 2.075
local terms energy: -49.473885
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -252.769048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.769048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.769048 (E_RNA)
where:
Base-Base interactions energy: -172.282
where: short stacking energy: -77.367
Base-Backbone interact. energy: -0.216
local terms energy: -80.271305
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -10.858
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: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -236.079856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.079856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.079856 (E_RNA)
where:
Base-Base interactions energy: -151.986
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.076
local terms energy: -84.018016
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -13.328
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: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -206.599261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.599261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.599261 (E_RNA)
where:
Base-Base interactions energy: -134.222
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.589
local terms energy: -71.788233
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -18.005
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: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -200.347601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.347601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.347601 (E_RNA)
where:
Base-Base interactions energy: -123.732
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.726
local terms energy: -75.890265
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.961
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -186.073697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.073697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.073697 (E_RNA)
where:
Base-Base interactions energy: -105.481
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.330
local terms energy: -80.263302
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -211.307559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.307559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307559 (E_RNA)
where:
Base-Base interactions energy: -127.407
where: short stacking energy: -68.226
Base-Backbone interact. energy: -1.211
local terms energy: -82.688932
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -17.726
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: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -92.493120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.493120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.493120 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -33.996
Base-Backbone interact. energy: 0.365
local terms energy: -50.523242
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: 1.404
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -106.869303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.869303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.869303 (E_RNA)
where:
Base-Base interactions energy: -54.607
where: short stacking energy: -41.885
Base-Backbone interact. energy: -0.100
local terms energy: -52.162656
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -0.026
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -88.170299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.170299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.170299 (E_RNA)
where:
Base-Base interactions energy: -33.715
where: short stacking energy: -31.436
Base-Backbone interact. energy: 1.908
local terms energy: -56.363462
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.876
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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -89.470376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470376 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.109
local terms energy: -55.189881
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -238.080757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.080757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.080757 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -75.396
Base-Backbone interact. energy: -0.732
local terms energy: -82.791053
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -24.764
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: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -254.677397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.677397 (E_RNA)
where:
Base-Base interactions energy: -171.138
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.030
local terms energy: -83.509943
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -207.739745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739745 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.140
local terms energy: -77.791292
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -197.488484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.488484 (E_RNA)
where:
Base-Base interactions energy: -123.752
where: short stacking energy: -57.604
Base-Backbone interact. energy: -0.269
local terms energy: -73.466965
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.831
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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -194.037098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.037098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.037098 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.517
local terms energy: -72.859085
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -168.103269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.103269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.103269 (E_RNA)
where:
Base-Base interactions energy: -100.086
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.259
local terms energy: -67.758492
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -107.482188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.482188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.482188 (E_RNA)
where:
Base-Base interactions energy: -53.011
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.257
local terms energy: -54.214247
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -106.547866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.547866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.547866 (E_RNA)
where:
Base-Base interactions energy: -50.199
where: short stacking energy: -45.918
Base-Backbone interact. energy: -0.155
local terms energy: -56.193421
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -91.285380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285380 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -35.090
Base-Backbone interact. energy: -0.980
local terms energy: -52.644398
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -9.078
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: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -78.683742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.683742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.683742 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -32.131
Base-Backbone interact. energy: 0.282
local terms energy: -46.835050
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -3.780
flat angles P-C4'-P energy: -6.974
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: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -240.792238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.792238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.792238 (E_RNA)
where:
Base-Base interactions energy: -159.310
where: short stacking energy: -80.041
Base-Backbone interact. energy: -0.008
local terms energy: -81.474196
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -11.433
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: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -211.743649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.743649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.743649 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -78.568
Base-Backbone interact. energy: -0.118
local terms energy: -73.831825
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -246.621700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.621700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.621700 (E_RNA)
where:
Base-Base interactions energy: -171.218
where: short stacking energy: -69.034
Base-Backbone interact. energy: 0.187
local terms energy: -75.590232
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -175.419952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.419952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.419952 (E_RNA)
where:
Base-Base interactions energy: -102.437
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.125
local terms energy: -72.857119
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -211.558207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.558207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.558207 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -69.488
Base-Backbone interact. energy: -1.171
local terms energy: -75.172078
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -109.715713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.715713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.715713 (E_RNA)
where:
Base-Base interactions energy: -58.071
where: short stacking energy: -52.889
Base-Backbone interact. energy: 0.782
local terms energy: -52.427125
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.561
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: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -171.910638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.910638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.910638 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -48.512
Base-Backbone interact. energy: -0.095
local terms energy: -65.373204
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -97.221732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.221732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.221732 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.506
local terms energy: -54.898808
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -86.720356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720356 (E_RNA)
where:
Base-Base interactions energy: -23.912
where: short stacking energy: -23.912
Base-Backbone interact. energy: -0.532
local terms energy: -62.276054
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -83.423562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.423562 (E_RNA)
where:
Base-Base interactions energy: -28.163
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.327
local terms energy: -54.933504
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -0.828
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: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -223.361143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.361143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361143 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.184
local terms energy: -82.600152
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -15.175
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: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -236.964619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.964619 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -79.869
Base-Backbone interact. energy: -0.139
local terms energy: -87.286537
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -12.839
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: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -247.157380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.157380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.157380 (E_RNA)
where:
Base-Base interactions energy: -167.880
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.360
local terms energy: -78.917264
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -183.743354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.743354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.743354 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.534
local terms energy: -83.737374
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -207.659019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659019 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.007
local terms energy: -71.590307
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -100.592499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.592499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.592499 (E_RNA)
where:
Base-Base interactions energy: -38.098
where: short stacking energy: -38.098
Base-Backbone interact. energy: 0.710
local terms energy: -63.204976
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -9.097
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: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -171.785204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.785204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.785204 (E_RNA)
where:
Base-Base interactions energy: -109.768
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.248
local terms energy: -61.769342
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -0.247
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -92.899303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899303 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -38.843
Base-Backbone interact. energy: 0.355
local terms energy: -54.036679
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -86.335089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.335089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.335089 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.084
local terms energy: -58.731927
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -87.240083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.240083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.240083 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -32.091
Base-Backbone interact. energy: -0.196
local terms energy: -54.953051
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -220.123730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.123730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.123730 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.072
local terms energy: -78.421970
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -14.885
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: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -245.267042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.267042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.267042 (E_RNA)
where:
Base-Base interactions energy: -168.306
where: short stacking energy: -77.226
Base-Backbone interact. energy: -1.696
local terms energy: -75.265257
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.390
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: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -223.596711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596711 (E_RNA)
where:
Base-Base interactions energy: -139.291
where: short stacking energy: -71.850
Base-Backbone interact. energy: -1.991
local terms energy: -82.313870
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -216.199795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.199795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.199795 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.646
local terms energy: -77.299669
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -173.011053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.011053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011053 (E_RNA)
where:
Base-Base interactions energy: -108.711
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.972
local terms energy: -63.328341
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -11.679
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -181.935483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.935483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.935483 (E_RNA)
where:
Base-Base interactions energy: -117.444
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.079
local terms energy: -64.412360
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -127.484408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.484408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.484408 (E_RNA)
where:
Base-Base interactions energy: -71.462
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.199
local terms energy: -55.823511
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -94.350267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.350267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.350267 (E_RNA)
where:
Base-Base interactions energy: -36.887
where: short stacking energy: -31.213
Base-Backbone interact. energy: 0.454
local terms energy: -57.917598
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: 0.513
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: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -90.811764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811764 (E_RNA)
where:
Base-Base interactions energy: -27.808
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.051
local terms energy: -62.952770
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -82.459990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.459990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.459990 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.373
local terms energy: -48.618024
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -4.884
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: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -258.135129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.135129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.135129 (E_RNA)
where:
Base-Base interactions energy: -173.695
where: short stacking energy: -79.277
Base-Backbone interact. energy: -0.252
local terms energy: -84.188338
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -18.094
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: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -229.974046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974046 (E_RNA)
where:
Base-Base interactions energy: -152.470
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.012
local terms energy: -77.492064
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -6.762
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: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -215.653994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.653994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.653994 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -66.385
Base-Backbone interact. energy: -1.019
local terms energy: -74.574448
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -203.547518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.547518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.547518 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.200
local terms energy: -68.571914
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -162.722943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.722943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.722943 (E_RNA)
where:
Base-Base interactions energy: -91.272
where: short stacking energy: -49.235
Base-Backbone interact. energy: -0.657
local terms energy: -70.793772
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -171.959129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.959129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.959129 (E_RNA)
where:
Base-Base interactions energy: -102.126
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.089
local terms energy: -69.743541
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -120.632792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.632792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.632792 (E_RNA)
where:
Base-Base interactions energy: -62.220
where: short stacking energy: -32.284
Base-Backbone interact. energy: -0.148
local terms energy: -58.264649
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -1.619
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: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -95.660896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660896 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -30.867
Base-Backbone interact. energy: -0.070
local terms energy: -55.512801
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -90.333259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.333259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.333259 (E_RNA)
where:
Base-Base interactions energy: -52.692
where: short stacking energy: -31.285
Base-Backbone interact. energy: -1.465
local terms energy: -36.175694
where:
bonds (distance) C4'-P energy: -7.447
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -90.596567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.596567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.596567 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -32.997
Base-Backbone interact. energy: 0.479
local terms energy: -54.123242
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -255.741024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.741024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.741024 (E_RNA)
where:
Base-Base interactions energy: -164.178
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.702
local terms energy: -90.860925
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -228.279054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.279054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.279054 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -64.008
Base-Backbone interact. energy: -0.346
local terms energy: -81.548320
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -235.025702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.025702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.025702 (E_RNA)
where:
Base-Base interactions energy: -149.544
where: short stacking energy: -87.886
Base-Backbone interact. energy: -0.350
local terms energy: -85.132157
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -220.014551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.014551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.014551 (E_RNA)
where:
Base-Base interactions energy: -141.877
where: short stacking energy: -77.018
Base-Backbone interact. energy: -1.391
local terms energy: -76.746109
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.360
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: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -156.872247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.872247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.872247 (E_RNA)
where:
Base-Base interactions energy: -101.919
where: short stacking energy: -40.485
Base-Backbone interact. energy: -1.124
local terms energy: -53.829174
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -165.473077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.473077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.473077 (E_RNA)
where:
Base-Base interactions energy: -97.110
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.002
local terms energy: -68.361492
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.156
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: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -102.976061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.976061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.976061 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.108
local terms energy: -62.086725
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -98.731135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.731135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.731135 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.220
local terms energy: -62.440543
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.632
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: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -85.782255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.782255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.782255 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.007
local terms energy: -51.660641
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -84.841716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841716 (E_RNA)
where:
Base-Base interactions energy: -25.197
where: short stacking energy: -22.792
Base-Backbone interact. energy: 0.112
local terms energy: -59.756449
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -257.309900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.309900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.309900 (E_RNA)
where:
Base-Base interactions energy: -180.221
where: short stacking energy: -78.040
Base-Backbone interact. energy: -0.411
local terms energy: -76.678207
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -18.201
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: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -230.447045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.447045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.447045 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.075
local terms energy: -74.440431
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -218.862440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.862440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.862440 (E_RNA)
where:
Base-Base interactions energy: -144.977
where: short stacking energy: -82.500
Base-Backbone interact. energy: -0.091
local terms energy: -73.794672
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -189.539395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.539395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.539395 (E_RNA)
where:
Base-Base interactions energy: -121.878
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.054
local terms energy: -67.607574
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -14.889
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: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -188.505022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.505022 (E_RNA)
where:
Base-Base interactions energy: -124.244
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.292
local terms energy: -63.968910
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -13.683
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: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -181.065434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.065434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.065434 (E_RNA)
where:
Base-Base interactions energy: -118.819
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.891
local terms energy: -61.355391
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -100.116245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.116245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.116245 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -41.764
Base-Backbone interact. energy: -0.081
local terms energy: -58.270501
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -89.434432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.434432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.434432 (E_RNA)
where:
Base-Base interactions energy: -27.581
where: short stacking energy: -25.570
Base-Backbone interact. energy: -0.117
local terms energy: -61.736366
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -1.742
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: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -106.922265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.922265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.922265 (E_RNA)
where:
Base-Base interactions energy: -50.395
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.103
local terms energy: -56.423887
where:
bonds (distance) C4'-P energy: -6.693
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -85.435483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.435483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.435483 (E_RNA)
where:
Base-Base interactions energy: -29.218
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.738
local terms energy: -55.479377
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.088
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -247.650830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.650830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.650830 (E_RNA)
where:
Base-Base interactions energy: -173.249
where: short stacking energy: -76.659
Base-Backbone interact. energy: -0.235
local terms energy: -74.166554
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -19.812
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -232.944268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.944268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.944268 (E_RNA)
where:
Base-Base interactions energy: -154.609
where: short stacking energy: -74.966
Base-Backbone interact. energy: 1.045
local terms energy: -79.380689
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -17.847
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: 185
Temperature: 1.000000
Total energy: -202.639008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.639008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.639008 (E_RNA)
where:
Base-Base interactions energy: -128.229
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.256
local terms energy: -74.153140
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -203.240713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.240713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.240713 (E_RNA)
where:
Base-Base interactions energy: -128.328
where: short stacking energy: -68.614
Base-Backbone interact. energy: -0.274
local terms energy: -74.638346
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -16.110
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: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -191.547988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.547988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.547988 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -60.539
Base-Backbone interact. energy: -2.137
local terms energy: -74.106190
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -179.320417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.320417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.320417 (E_RNA)
where:
Base-Base interactions energy: -107.476
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.521
local terms energy: -71.323492
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -114.327019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.327019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.327019 (E_RNA)
where:
Base-Base interactions energy: -48.955
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.413
local terms energy: -64.959362
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -107.339229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.339229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.339229 (E_RNA)
where:
Base-Base interactions energy: -49.102
where: short stacking energy: -49.102
Base-Backbone interact. energy: -0.183
local terms energy: -58.053433
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -84.803976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.803976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.803976 (E_RNA)
where:
Base-Base interactions energy: -36.984
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.047
local terms energy: -47.773159
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -89.780141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.780141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.780141 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.019
local terms energy: -44.109676
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -6.707
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: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -247.110282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.110282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.110282 (E_RNA)
where:
Base-Base interactions energy: -171.567
where: short stacking energy: -76.594
Base-Backbone interact. energy: -0.524
local terms energy: -75.019336
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -225.490894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490894 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -72.997
Base-Backbone interact. energy: -0.004
local terms energy: -77.472281
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -218.716127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.716127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.716127 (E_RNA)
where:
Base-Base interactions energy: -142.280
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.426
local terms energy: -76.010144
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -222.669631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669631 (E_RNA)
where:
Base-Base interactions energy: -142.065
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.094
local terms energy: -80.510802
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -186.127305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.127305 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.501
local terms energy: -60.703108
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -15.869
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: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -185.694955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.694955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.694955 (E_RNA)
where:
Base-Base interactions energy: -119.626
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.137
local terms energy: -65.931967
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -94.296281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.296281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.296281 (E_RNA)
where:
Base-Base interactions energy: -38.782
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.559
local terms energy: -54.955157
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -99.277749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.277749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.277749 (E_RNA)
where:
Base-Base interactions energy: -41.601
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.585
local terms energy: -57.092114
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -87.851377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851377 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.158
local terms energy: -54.597203
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -2.701
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: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.173294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.173294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.173294 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.166
local terms energy: -44.876930
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -6.182
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: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -244.246255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.246255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.246255 (E_RNA)
where:
Base-Base interactions energy: -163.242
where: short stacking energy: -71.924
Base-Backbone interact. energy: -1.751
local terms energy: -79.253424
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -17.208
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -220.336089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.336089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.336089 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -62.115
Base-Backbone interact. energy: -2.089
local terms energy: -88.451047
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -223.361395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.361395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361395 (E_RNA)
where:
Base-Base interactions energy: -140.801
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.150
local terms energy: -82.409884
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -206.462023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.462023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.462023 (E_RNA)
where:
Base-Base interactions energy: -125.184
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.057
local terms energy: -81.220642
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -21.010
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: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -197.173665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.173665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.173665 (E_RNA)
where:
Base-Base interactions energy: -120.264
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.481
local terms energy: -76.427790
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -190.144083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.144083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.144083 (E_RNA)
where:
Base-Base interactions energy: -125.202
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.431
local terms energy: -64.511050
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -96.892938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.892938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.892938 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -41.181
Base-Backbone interact. energy: -0.028
local terms energy: -54.906577
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -4.598
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: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -100.632400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.632400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.632400 (E_RNA)
where:
Base-Base interactions energy: -53.069
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.256
local terms energy: -47.306665
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -1.525
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -83.871791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871791 (E_RNA)
where:
Base-Base interactions energy: -39.587
where: short stacking energy: -20.857
Base-Backbone interact. energy: -0.518
local terms energy: -43.766840
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: 6.156
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: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.729677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729677 (E_RNA)
where:
Base-Base interactions energy: -34.360
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.126
local terms energy: -50.243517
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -1.413
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: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -248.064092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.064092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.064092 (E_RNA)
where:
Base-Base interactions energy: -169.755
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.896
local terms energy: -77.412443
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -214.749971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.749971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.749971 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.765
local terms energy: -82.893340
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.351
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -225.914871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.914871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.914871 (E_RNA)
where:
Base-Base interactions energy: -136.377
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.871
local terms energy: -88.666639
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -194.206390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.206390 (E_RNA)
where:
Base-Base interactions energy: -120.536
where: short stacking energy: -50.606
Base-Backbone interact. energy: -0.084
local terms energy: -73.586639
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -13.749
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -198.073835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.073835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.073835 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.009
local terms energy: -71.265799
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -180.995268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.995268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.995268 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -58.556
Base-Backbone interact. energy: 2.712
local terms energy: -68.934159
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -12.470
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: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -103.942802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.942802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.942802 (E_RNA)
where:
Base-Base interactions energy: -47.208
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.033
local terms energy: -56.701411
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -8.342
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: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -95.571447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571447 (E_RNA)
where:
Base-Base interactions energy: -41.521
where: short stacking energy: -31.766
Base-Backbone interact. energy: -0.935
local terms energy: -53.115499
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.050
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: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -97.149312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.149312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.149312 (E_RNA)
where:
Base-Base interactions energy: -43.457
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.762
local terms energy: -52.930258
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: 1.400
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: 188
Temperature: 1.350000
Total energy: -78.050159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.050159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.050159 (E_RNA)
where:
Base-Base interactions energy: -40.412
where: short stacking energy: -34.283
Base-Backbone interact. energy: -0.241
local terms energy: -37.397689
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -249.011805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.011805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.011805 (E_RNA)
where:
Base-Base interactions energy: -165.646
where: short stacking energy: -72.216
Base-Backbone interact. energy: -0.520
local terms energy: -82.846377
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.689
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -225.517009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517009 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.025
local terms energy: -80.191831
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -211.049740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.049740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.049740 (E_RNA)
where:
Base-Base interactions energy: -129.350
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.020
local terms energy: -81.680178
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -220.174880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.174880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.174880 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -78.883
Base-Backbone interact. energy: -1.034
local terms energy: -77.305826
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -193.587177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.587177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.587177 (E_RNA)
where:
Base-Base interactions energy: -125.072
where: short stacking energy: -52.912
Base-Backbone interact. energy: -0.554
local terms energy: -67.960994
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -166.454992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454992 (E_RNA)
where:
Base-Base interactions energy: -101.044
where: short stacking energy: -46.230
Base-Backbone interact. energy: 1.223
local terms energy: -66.634295
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -96.761121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.761121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.761121 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.295
local terms energy: -62.670870
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -117.326499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.326499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.326499 (E_RNA)
where:
Base-Base interactions energy: -57.839
where: short stacking energy: -41.266
Base-Backbone interact. energy: 0.341
local terms energy: -59.828266
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -98.791078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.791078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.791078 (E_RNA)
where:
Base-Base interactions energy: -41.768
where: short stacking energy: -39.138
Base-Backbone interact. energy: -0.015
local terms energy: -57.008186
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -105.011624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.011624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.011624 (E_RNA)
where:
Base-Base interactions energy: -63.273
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.180
local terms energy: -41.558407
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: 2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -253.999910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.999910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.999910 (E_RNA)
where:
Base-Base interactions energy: -170.816
where: short stacking energy: -80.391
Base-Backbone interact. energy: -0.928
local terms energy: -82.255764
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -237.826087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.826087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.826087 (E_RNA)
where:
Base-Base interactions energy: -153.765
where: short stacking energy: -77.046
Base-Backbone interact. energy: -0.003
local terms energy: -84.058266
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -224.373501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.373501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.373501 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.363
local terms energy: -85.097303
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -21.638
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -214.127195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127195 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -68.870
Base-Backbone interact. energy: 0.696
local terms energy: -88.153472
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -172.073320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.073320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.073320 (E_RNA)
where:
Base-Base interactions energy: -100.290
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.018
local terms energy: -71.765735
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -194.673399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.673399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.673399 (E_RNA)
where:
Base-Base interactions energy: -122.658
where: short stacking energy: -61.217
Base-Backbone interact. energy: 0.949
local terms energy: -72.964241
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -13.141
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: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -94.458545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.458545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.458545 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -25.079
Base-Backbone interact. energy: -0.202
local terms energy: -59.665603
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -100.385297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.385297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.385297 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.432
local terms energy: -59.290908
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -131.111499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.111499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.111499 (E_RNA)
where:
Base-Base interactions energy: -78.432
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.195
local terms energy: -52.484108
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: 0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -81.603364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603364 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -34.466
Base-Backbone interact. energy: 1.140
local terms energy: -43.073226
where:
bonds (distance) C4'-P energy: -5.486
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -252.542755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.542755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.542755 (E_RNA)
where:
Base-Base interactions energy: -170.555
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.413
local terms energy: -81.574617
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -17.476
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: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -238.063583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.063583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.063583 (E_RNA)
where:
Base-Base interactions energy: -156.462
where: short stacking energy: -85.247
Base-Backbone interact. energy: -0.367
local terms energy: -81.234951
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -212.707889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.707889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.707889 (E_RNA)
where:
Base-Base interactions energy: -136.285
where: short stacking energy: -68.630
Base-Backbone interact. energy: -1.104
local terms energy: -75.318142
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -186.046628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.046628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.046628 (E_RNA)
where:
Base-Base interactions energy: -118.090
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.715
local terms energy: -67.241760
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -200.441554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441554 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.046
local terms energy: -73.479066
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -189.945645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.945645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.945645 (E_RNA)
where:
Base-Base interactions energy: -119.233
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.097
local terms energy: -70.615506
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -14.504
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: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -92.405791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.405791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.405791 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.014
local terms energy: -59.885130
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -91.607825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.607825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.607825 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -34.898
Base-Backbone interact. energy: -0.121
local terms energy: -55.905732
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -6.699
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -104.502297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.502297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.502297 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -39.479
Base-Backbone interact. energy: 2.723
local terms energy: -66.782803
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -4.130
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: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -99.283771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.283771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.283771 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -33.406
Base-Backbone interact. energy: 1.329
local terms energy: -57.595529
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -249.330859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.330859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.330859 (E_RNA)
where:
Base-Base interactions energy: -164.113
where: short stacking energy: -80.516
Base-Backbone interact. energy: -0.343
local terms energy: -84.875255
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -250.323941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.323941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.323941 (E_RNA)
where:
Base-Base interactions energy: -172.694
where: short stacking energy: -73.808
Base-Backbone interact. energy: -0.356
local terms energy: -77.274014
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -9.879
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -216.655008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655008 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.539
local terms energy: -82.411038
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -20.495
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -199.070254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.070254 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -61.500
Base-Backbone interact. energy: 0.126
local terms energy: -80.353185
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -14.684
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: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -195.707448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.707448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.707448 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -63.741
Base-Backbone interact. energy: -1.580
local terms energy: -65.879821
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -198.182897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.182897 (E_RNA)
where:
Base-Base interactions energy: -123.934
where: short stacking energy: -55.187
Base-Backbone interact. energy: -1.550
local terms energy: -72.699011
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -104.613234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.613234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.613234 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -26.812
Base-Backbone interact. energy: 0.797
local terms energy: -57.889133
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.336
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -91.975799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.975799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.975799 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -30.967
Base-Backbone interact. energy: -1.001
local terms energy: -60.007310
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -11.530
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: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -93.273684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.273684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.273684 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -41.775
Base-Backbone interact. energy: 0.866
local terms energy: -51.881392
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -86.875075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.875075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.875075 (E_RNA)
where:
Base-Base interactions energy: -28.597
where: short stacking energy: -28.122
Base-Backbone interact. energy: -0.530
local terms energy: -57.748035
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -3.108
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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -231.670248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.670248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.670248 (E_RNA)
where:
Base-Base interactions energy: -153.688
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.321
local terms energy: -77.661166
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -223.098526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.098526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098526 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.068
local terms energy: -79.680071
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -248.769469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769469 (E_RNA)
where:
Base-Base interactions energy: -174.625
where: short stacking energy: -65.385
Base-Backbone interact. energy: -0.570
local terms energy: -73.574039
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -214.089100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.089100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.089100 (E_RNA)
where:
Base-Base interactions energy: -133.754
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.090
local terms energy: -80.245164
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -206.289410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.289410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.289410 (E_RNA)
where:
Base-Base interactions energy: -129.063
where: short stacking energy: -66.028
Base-Backbone interact. energy: -0.798
local terms energy: -76.428700
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -161.832889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.832889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.832889 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.548
local terms energy: -67.305311
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -10.758
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: 193
Temperature: 1.200000
Total energy: -106.780575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.780575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.780575 (E_RNA)
where:
Base-Base interactions energy: -51.372
where: short stacking energy: -45.739
Base-Backbone interact. energy: -0.225
local terms energy: -55.183734
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -118.103388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.103388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.103388 (E_RNA)
where:
Base-Base interactions energy: -68.779
where: short stacking energy: -27.232
Base-Backbone interact. energy: 1.306
local terms energy: -50.630507
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -8.165
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -111.924206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.924206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.924206 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.135
local terms energy: -69.245576
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -11.277
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -89.468259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468259 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.442
local terms energy: -52.353988
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -230.039608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.039608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.039608 (E_RNA)
where:
Base-Base interactions energy: -152.078
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.022
local terms energy: -77.939457
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -11.352
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: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -210.996650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.996650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.996650 (E_RNA)
where:
Base-Base interactions energy: -138.894
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.130
local terms energy: -71.972610
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -14.857
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -241.685398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.685398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.685398 (E_RNA)
where:
Base-Base interactions energy: -158.107
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.372
local terms energy: -83.206087
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.800
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: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -221.700660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.700660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.700660 (E_RNA)
where:
Base-Base interactions energy: -145.340
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.571
local terms energy: -75.790252
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -11.151
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -173.549833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.549833 (E_RNA)
where:
Base-Base interactions energy: -104.534
where: short stacking energy: -54.180
Base-Backbone interact. energy: -1.268
local terms energy: -67.747722
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -193.127731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.127731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.127731 (E_RNA)
where:
Base-Base interactions energy: -119.445
where: short stacking energy: -51.782
Base-Backbone interact. energy: 0.360
local terms energy: -74.042447
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -120.111834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.111834 (E_RNA)
where:
Base-Base interactions energy: -78.027
where: short stacking energy: -39.184
Base-Backbone interact. energy: -0.109
local terms energy: -41.975081
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -4.009
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -102.678231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.678231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.678231 (E_RNA)
where:
Base-Base interactions energy: -47.463
where: short stacking energy: -45.844
Base-Backbone interact. energy: 0.225
local terms energy: -55.439766
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -84.842725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.842725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.842725 (E_RNA)
where:
Base-Base interactions energy: -35.441
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.344
local terms energy: -49.057777
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -5.066
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: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -90.061128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.061128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.061128 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.667
local terms energy: -48.645413
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -241.791997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.791997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.791997 (E_RNA)
where:
Base-Base interactions energy: -159.898
where: short stacking energy: -80.609
Base-Backbone interact. energy: 0.903
local terms energy: -82.796830
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -14.392
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: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -242.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.448673 (E_RNA)
where:
Base-Base interactions energy: -166.594
where: short stacking energy: -73.727
Base-Backbone interact. energy: 0.333
local terms energy: -76.188262
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -216.097905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.097905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.097905 (E_RNA)
where:
Base-Base interactions energy: -133.038
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.015
local terms energy: -83.044442
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -206.974620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.974620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.974620 (E_RNA)
where:
Base-Base interactions energy: -129.738
where: short stacking energy: -64.915
Base-Backbone interact. energy: -1.272
local terms energy: -75.964566
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -177.628968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.628968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.628968 (E_RNA)
where:
Base-Base interactions energy: -104.480
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.820
local terms energy: -72.329839
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -185.553436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.553436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553436 (E_RNA)
where:
Base-Base interactions energy: -113.456
where: short stacking energy: -48.300
Base-Backbone interact. energy: -0.407
local terms energy: -71.690654
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -101.989670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.989670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.989670 (E_RNA)
where:
Base-Base interactions energy: -55.337
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.108
local terms energy: -46.544537
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -3.782
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: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -101.572861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.572861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.572861 (E_RNA)
where:
Base-Base interactions energy: -41.671
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.074
local terms energy: -59.827786
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -2.402
tors. eta vs tors. theta energy: -4.817
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: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -87.220352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220352 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.282
local terms energy: -50.778589
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -3.371
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -83.811499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.811499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.811499 (E_RNA)
where:
Base-Base interactions energy: -34.690
where: short stacking energy: -23.558
Base-Backbone interact. energy: -0.872
local terms energy: -48.250221
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: 1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -251.643632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.643632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.643632 (E_RNA)
where:
Base-Base interactions energy: -177.486
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.244
local terms energy: -73.913740
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -229.917058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.917058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.917058 (E_RNA)
where:
Base-Base interactions energy: -151.141
where: short stacking energy: -71.107
Base-Backbone interact. energy: 0.561
local terms energy: -79.337249
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -244.816008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.816008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.816008 (E_RNA)
where:
Base-Base interactions energy: -158.468
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.132
local terms energy: -86.216200
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -199.794972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.794972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.794972 (E_RNA)
where:
Base-Base interactions energy: -124.437
where: short stacking energy: -72.943
Base-Backbone interact. energy: -0.632
local terms energy: -74.726131
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -198.390914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.390914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.390914 (E_RNA)
where:
Base-Base interactions energy: -129.169
where: short stacking energy: -64.656
Base-Backbone interact. energy: 0.317
local terms energy: -69.538711
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -190.054502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.054502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.054502 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.063
local terms energy: -74.390529
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -95.621929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.621929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.621929 (E_RNA)
where:
Base-Base interactions energy: -47.090
where: short stacking energy: -38.613
Base-Backbone interact. energy: -0.002
local terms energy: -48.529322
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -3.078
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -104.219934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.219934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.219934 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -38.576
Base-Backbone interact. energy: -1.711
local terms energy: -55.212273
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -92.338832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338832 (E_RNA)
where:
Base-Base interactions energy: -57.849
where: short stacking energy: -18.396
Base-Backbone interact. energy: -0.349
local terms energy: -34.140988
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -85.636778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636778 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.167
local terms energy: -47.786310
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -8.878
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: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -251.314660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.314660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.314660 (E_RNA)
where:
Base-Base interactions energy: -163.340
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.512
local terms energy: -87.462159
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.624
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: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -233.955446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.955446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.955446 (E_RNA)
where:
Base-Base interactions energy: -155.643
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.036
local terms energy: -78.276748
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -233.660917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.660917 (E_RNA)
where:
Base-Base interactions energy: -156.917
where: short stacking energy: -80.495
Base-Backbone interact. energy: -1.325
local terms energy: -75.418643
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -18.923
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: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -208.747713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.747713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.747713 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.133
local terms energy: -78.467204
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -197.358714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358714 (E_RNA)
where:
Base-Base interactions energy: -121.407
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.560
local terms energy: -75.391752
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -13.236
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: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -196.082953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.082953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.082953 (E_RNA)
where:
Base-Base interactions energy: -118.692
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.658
local terms energy: -76.732313
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -93.372034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.372034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.372034 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.223
local terms energy: -56.795312
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -106.534938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.534938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.534938 (E_RNA)
where:
Base-Base interactions energy: -49.292
where: short stacking energy: -24.880
Base-Backbone interact. energy: -0.328
local terms energy: -56.914774
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -90.256683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256683 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.038
local terms energy: -47.476982
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -11.377
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -89.405366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.405366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.405366 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -31.407
Base-Backbone interact. energy: -0.197
local terms energy: -57.800752
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -252.715394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.715394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.715394 (E_RNA)
where:
Base-Base interactions energy: -177.095
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.319
local terms energy: -75.301826
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -232.447558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.447558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.447558 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.149
local terms energy: -83.185619
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -14.998
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: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -238.528728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.528728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528728 (E_RNA)
where:
Base-Base interactions energy: -156.021
where: short stacking energy: -71.357
Base-Backbone interact. energy: 0.317
local terms energy: -82.824843
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -13.761
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: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -199.775901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.775901 (E_RNA)
where:
Base-Base interactions energy: -123.226
where: short stacking energy: -62.772
Base-Backbone interact. energy: -1.238
local terms energy: -75.312512
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -211.898455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.898455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.898455 (E_RNA)
where:
Base-Base interactions energy: -134.673
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.040
local terms energy: -77.185669
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -200.476270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.476270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.476270 (E_RNA)
where:
Base-Base interactions energy: -128.114
where: short stacking energy: -60.179
Base-Backbone interact. energy: -2.029
local terms energy: -70.332834
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -114.595953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.595953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.595953 (E_RNA)
where:
Base-Base interactions energy: -58.885
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.056
local terms energy: -55.654421
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -99.403085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403085 (E_RNA)
where:
Base-Base interactions energy: -28.292
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.249
local terms energy: -70.861797
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -85.695149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695149 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.175
local terms energy: -51.452543
where:
bonds (distance) C4'-P energy: -6.497
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -89.137811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137811 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -30.726
Base-Backbone interact. energy: 0.218
local terms energy: -51.275111
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -251.897488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.897488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.897488 (E_RNA)
where:
Base-Base interactions energy: -168.838
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.777
local terms energy: -82.282654
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -228.254983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.254983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.254983 (E_RNA)
where:
Base-Base interactions energy: -151.293
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.890
local terms energy: -76.072284
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -12.097
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: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -215.025469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.025469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.025469 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.474
local terms energy: -76.105440
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -213.295868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295868 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -71.567
Base-Backbone interact. energy: -0.066
local terms energy: -80.350429
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -21.490
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: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -192.663523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.663523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663523 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.419
local terms energy: -73.901914
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.141
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: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -197.678399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.678399 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.134
local terms energy: -65.310883
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -13.499
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: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -91.159588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.159588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.159588 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.234
local terms energy: -57.575021
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -88.186947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.186947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.186947 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -29.498
Base-Backbone interact. energy: -0.232
local terms energy: -57.306461
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -1.565
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: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -108.019690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.019690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.019690 (E_RNA)
where:
Base-Base interactions energy: -53.676
where: short stacking energy: -26.382
Base-Backbone interact. energy: 0.105
local terms energy: -54.448554
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -0.905
tors. eta vs tors. theta energy: -2.310
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: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -90.950023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.950023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.950023 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.893
local terms energy: -53.333611
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: 2.148
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: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -233.125784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.125784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.125784 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.059
local terms energy: -76.190310
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -16.864
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: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -242.800541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.800541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.800541 (E_RNA)
where:
Base-Base interactions energy: -164.091
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.359
local terms energy: -78.351127
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -221.869030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869030 (E_RNA)
where:
Base-Base interactions energy: -139.423
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.150
local terms energy: -82.295786
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.627
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: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -198.507117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.507117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.507117 (E_RNA)
where:
Base-Base interactions energy: -126.767
where: short stacking energy: -72.431
Base-Backbone interact. energy: -0.008
local terms energy: -71.732164
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -17.637
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: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -200.538379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538379 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.414
local terms energy: -77.797198
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -188.248493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.248493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.248493 (E_RNA)
where:
Base-Base interactions energy: -122.731
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.013
local terms energy: -65.504171
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -100.395237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.395237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.395237 (E_RNA)
where:
Base-Base interactions energy: -52.141
where: short stacking energy: -41.670
Base-Backbone interact. energy: 2.961
local terms energy: -51.215066
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -104.378022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.378022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.378022 (E_RNA)
where:
Base-Base interactions energy: -43.360
where: short stacking energy: -35.690
Base-Backbone interact. energy: -1.414
local terms energy: -59.603718
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -12.625
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: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -95.547107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.547107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.547107 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.217
local terms energy: -59.420113
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -82.162352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.162352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.162352 (E_RNA)
where:
Base-Base interactions energy: -24.129
where: short stacking energy: -24.129
Base-Backbone interact. energy: -0.118
local terms energy: -57.915586
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.017
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: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -234.466412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.466412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.466412 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.086
local terms energy: -72.072259
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -16.105
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: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -244.121394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.121394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.121394 (E_RNA)
where:
Base-Base interactions energy: -165.192
where: short stacking energy: -76.564
Base-Backbone interact. energy: -0.411
local terms energy: -78.518831
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -214.772304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.772304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.772304 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.820
local terms energy: -79.128420
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -21.827
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -197.438863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.438863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.438863 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.285
local terms energy: -76.103023
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -198.877062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.877062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.877062 (E_RNA)
where:
Base-Base interactions energy: -125.354
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.070
local terms energy: -73.452827
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.169
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: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -198.243676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.243676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.243676 (E_RNA)
where:
Base-Base interactions energy: -129.931
where: short stacking energy: -63.738
Base-Backbone interact. energy: -1.173
local terms energy: -67.139842
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -19.993
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: 201
Temperature: 1.200000
Total energy: -117.183421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.183421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.183421 (E_RNA)
where:
Base-Base interactions energy: -51.874
where: short stacking energy: -39.563
Base-Backbone interact. energy: -0.520
local terms energy: -64.789580
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -12.740
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: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -102.154674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.154674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.154674 (E_RNA)
where:
Base-Base interactions energy: -52.916
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.272
local terms energy: -48.966771
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -95.547481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.547481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.547481 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.112
local terms energy: -63.012031
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -12.254
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -104.274817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.274817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.274817 (E_RNA)
where:
Base-Base interactions energy: -52.262
where: short stacking energy: -34.185
Base-Backbone interact. energy: 0.789
local terms energy: -52.802153
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -8.242
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -257.099202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.099202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.099202 (E_RNA)
where:
Base-Base interactions energy: -173.404
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.765
local terms energy: -82.930432
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -230.772121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.772121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.772121 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.133
local terms energy: -79.632824
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -21.388
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: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -197.926902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.926902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.926902 (E_RNA)
where:
Base-Base interactions energy: -124.215
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.011
local terms energy: -73.700534
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -217.977960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977960 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.060
local terms energy: -81.581064
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -20.710
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: 202
Temperature: 1.100000
Total energy: -194.189608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.189608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.189608 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.098
local terms energy: -68.492412
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -177.656926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.656926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.656926 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.172
local terms energy: -66.481362
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -12.892
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: 202
Temperature: 1.200000
Total energy: -107.197314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.197314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.197314 (E_RNA)
where:
Base-Base interactions energy: -45.113
where: short stacking energy: -31.289
Base-Backbone interact. energy: 0.781
local terms energy: -62.865064
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -103.783296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.783296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.783296 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -37.625
Base-Backbone interact. energy: 0.985
local terms energy: -63.619548
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -6.742
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: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -118.587484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.587484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.587484 (E_RNA)
where:
Base-Base interactions energy: -57.821
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.577
local terms energy: -60.189996
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -85.528224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528224 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -32.415
Base-Backbone interact. energy: -0.103
local terms energy: -48.713055
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -9.013
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: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -249.990277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.990277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.990277 (E_RNA)
where:
Base-Base interactions energy: -170.646
where: short stacking energy: -85.244
Base-Backbone interact. energy: -0.887
local terms energy: -78.457186
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -201.329211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.329211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.329211 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.093
local terms energy: -83.265241
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -231.318159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.318159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.318159 (E_RNA)
where:
Base-Base interactions energy: -159.396
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.070
local terms energy: -71.851776
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -193.059738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.059738 (E_RNA)
where:
Base-Base interactions energy: -123.272
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.083
local terms energy: -69.703851
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -195.922680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.922680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.922680 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.100
local terms energy: -74.620296
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -190.010583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.010583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.010583 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.443
local terms energy: -74.941110
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -98.988724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.988724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.988724 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.244
local terms energy: -54.446814
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -116.053724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.053724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.053724 (E_RNA)
where:
Base-Base interactions energy: -60.870
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.251
local terms energy: -54.933432
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -97.863592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.863592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.863592 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.054
local terms energy: -59.567588
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -6.335
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: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -78.584108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584108 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.139
local terms energy: -47.549443
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -248.339865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.339865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.339865 (E_RNA)
where:
Base-Base interactions energy: -167.552
where: short stacking energy: -80.368
Base-Backbone interact. energy: -0.387
local terms energy: -80.401723
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -216.968651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.968651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.968651 (E_RNA)
where:
Base-Base interactions energy: -136.026
where: short stacking energy: -81.096
Base-Backbone interact. energy: -0.000
local terms energy: -80.941858
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -23.498
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: 204
Temperature: 1.000000
Total energy: -227.719241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.719241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.719241 (E_RNA)
where:
Base-Base interactions energy: -152.464
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.270
local terms energy: -74.985382
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -187.961666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.961666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.961666 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -55.332
Base-Backbone interact. energy: 0.258
local terms energy: -66.796124
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -170.795828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.795828 (E_RNA)
where:
Base-Base interactions energy: -108.800
where: short stacking energy: -49.935
Base-Backbone interact. energy: -0.615
local terms energy: -61.381110
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -176.059748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.059748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.059748 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -56.011
Base-Backbone interact. energy: 0.702
local terms energy: -63.349978
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -115.514412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.514412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.514412 (E_RNA)
where:
Base-Base interactions energy: -60.435
where: short stacking energy: -25.089
Base-Backbone interact. energy: -0.644
local terms energy: -54.435420
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -99.449446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.449446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.449446 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.078
local terms energy: -57.176449
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -4.370
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: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -81.414173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.414173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.414173 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -19.848
Base-Backbone interact. energy: -0.424
local terms energy: -50.598423
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -87.600044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600044 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.641
local terms energy: -60.392921
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -0.135
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: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -252.515204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.515204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.515204 (E_RNA)
where:
Base-Base interactions energy: -172.765
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.520
local terms energy: -79.230337
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -226.960505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.960505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.960505 (E_RNA)
where:
Base-Base interactions energy: -160.524
where: short stacking energy: -77.883
Base-Backbone interact. energy: -0.030
local terms energy: -66.406993
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -16.470
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -222.304860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304860 (E_RNA)
where:
Base-Base interactions energy: -144.870
where: short stacking energy: -79.012
Base-Backbone interact. energy: -0.093
local terms energy: -77.342186
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.514
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: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -191.949479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.949479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.949479 (E_RNA)
where:
Base-Base interactions energy: -116.139
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.186
local terms energy: -75.624503
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -17.598
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: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -181.781407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.781407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.781407 (E_RNA)
where:
Base-Base interactions energy: -121.457
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.089
local terms energy: -60.235690
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -174.696302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.696302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.696302 (E_RNA)
where:
Base-Base interactions energy: -115.796
where: short stacking energy: -58.880
Base-Backbone interact. energy: 0.948
local terms energy: -59.847547
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -11.595
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -179.597952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.597952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.597952 (E_RNA)
where:
Base-Base interactions energy: -112.015
where: short stacking energy: -54.255
Base-Backbone interact. energy: -0.136
local terms energy: -67.447095
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -107.255933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.255933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.255933 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -41.867
Base-Backbone interact. energy: -0.132
local terms energy: -55.763104
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -91.264254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264254 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.243
local terms energy: -55.191014
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -7.172
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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -96.411525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.411525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.411525 (E_RNA)
where:
Base-Base interactions energy: -52.136
where: short stacking energy: -43.973
Base-Backbone interact. energy: 0.888
local terms energy: -45.164484
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -5.724
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -254.529158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.529158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.529158 (E_RNA)
where:
Base-Base interactions energy: -177.805
where: short stacking energy: -80.611
Base-Backbone interact. energy: -0.346
local terms energy: -76.377542
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.837
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: 206
Temperature: 0.950000
Total energy: -237.389256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.389256 (E_RNA)
where:
Base-Base interactions energy: -159.753
where: short stacking energy: -68.698
Base-Backbone interact. energy: 0.719
local terms energy: -78.355448
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -15.785
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -198.687069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687069 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.248
local terms energy: -80.307567
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -211.596088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.596088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.596088 (E_RNA)
where:
Base-Base interactions energy: -128.862
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.024
local terms energy: -82.709979
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -194.923828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.923828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.923828 (E_RNA)
where:
Base-Base interactions energy: -122.068
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.078
local terms energy: -72.777777
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -183.220700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.220700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.220700 (E_RNA)
where:
Base-Base interactions energy: -117.027
where: short stacking energy: -61.604
Base-Backbone interact. energy: 0.405
local terms energy: -66.598648
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -163.161822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.161822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.161822 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.002
local terms energy: -62.885434
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -103.909824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909824 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -38.909
Base-Backbone interact. energy: -0.070
local terms energy: -64.414267
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -86.329914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329914 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.081
local terms energy: -56.384898
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -87.143232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143232 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -26.490
Base-Backbone interact. energy: -0.221
local terms energy: -59.637174
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -250.273185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.273185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.273185 (E_RNA)
where:
Base-Base interactions energy: -168.701
where: short stacking energy: -80.993
Base-Backbone interact. energy: -0.496
local terms energy: -81.076249
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -21.891
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: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -194.992923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.992923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.992923 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.420
local terms energy: -70.269517
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -227.539089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.539089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.539089 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -78.078
Base-Backbone interact. energy: -0.145
local terms energy: -81.461412
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.186
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: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -191.645495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.645495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.645495 (E_RNA)
where:
Base-Base interactions energy: -122.488
where: short stacking energy: -63.581
Base-Backbone interact. energy: -1.011
local terms energy: -68.146597
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.573
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -203.012152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.012152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.012152 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -66.800
Base-Backbone interact. energy: 0.631
local terms energy: -76.924145
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -191.617780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.617780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.617780 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -59.223
Base-Backbone interact. energy: 0.037
local terms energy: -67.970671
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.391001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.391001 (E_RNA)
where:
Base-Base interactions energy: -106.624
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.335
local terms energy: -69.431350
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -12.234
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: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -105.183177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.183177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.183177 (E_RNA)
where:
Base-Base interactions energy: -49.567
where: short stacking energy: -37.022
Base-Backbone interact. energy: 0.047
local terms energy: -55.662339
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -97.326136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.326136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.326136 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -39.203
Base-Backbone interact. energy: -0.052
local terms energy: -58.070883
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -85.250846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250846 (E_RNA)
where:
Base-Base interactions energy: -36.153
where: short stacking energy: -27.883
Base-Backbone interact. energy: 1.153
local terms energy: -50.250421
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -248.135559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.135559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.135559 (E_RNA)
where:
Base-Base interactions energy: -165.384
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.350
local terms energy: -82.401785
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -204.015109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.015109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.015109 (E_RNA)
where:
Base-Base interactions energy: -127.710
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.560
local terms energy: -75.745068
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -16.678
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: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -206.694229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.694229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.694229 (E_RNA)
where:
Base-Base interactions energy: -124.083
where: short stacking energy: -60.828
Base-Backbone interact. energy: -1.065
local terms energy: -81.546206
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -17.363
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: 208
Temperature: 1.050000
Total energy: -216.386187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386187 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.365
local terms energy: -68.626027
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -181.214445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.214445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.214445 (E_RNA)
where:
Base-Base interactions energy: -107.159
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.861
local terms energy: -73.194149
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -179.255708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255708 (E_RNA)
where:
Base-Base interactions energy: -111.029
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.253
local terms energy: -67.973273
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -148.214748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.214748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.214748 (E_RNA)
where:
Base-Base interactions energy: -86.775
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.316
local terms energy: -61.123053
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -7.549
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -93.878491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.878491 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.045
local terms energy: -54.135622
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -88.604517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604517 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.116
local terms energy: -58.141699
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -5.072
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: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -85.066688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066688 (E_RNA)
where:
Base-Base interactions energy: -36.815
where: short stacking energy: -33.453
Base-Backbone interact. energy: 1.011
local terms energy: -49.262695
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: 3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -253.269693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.269693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.269693 (E_RNA)
where:
Base-Base interactions energy: -170.681
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.402
local terms energy: -82.186611
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -10.253
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: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -205.490680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.490680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.490680 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -59.683
Base-Backbone interact. energy: -1.011
local terms energy: -73.805256
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -15.307
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: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -205.881792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.881792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.881792 (E_RNA)
where:
Base-Base interactions energy: -131.067
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.120
local terms energy: -74.694423
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -19.125
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -217.207956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.207956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.207956 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -61.046
Base-Backbone interact. energy: 0.164
local terms energy: -80.421501
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -10.294
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: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -189.967397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.967397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.967397 (E_RNA)
where:
Base-Base interactions energy: -124.561
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.564
local terms energy: -64.842017
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -7.683
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: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -194.609216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609216 (E_RNA)
where:
Base-Base interactions energy: -117.795
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.899
local terms energy: -75.915184
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -170.905036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.905036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.905036 (E_RNA)
where:
Base-Base interactions energy: -108.481
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.218
local terms energy: -62.206040
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -94.937503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.937503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.937503 (E_RNA)
where:
Base-Base interactions energy: -45.688
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.153
local terms energy: -49.097064
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -100.847040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.847040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.847040 (E_RNA)
where:
Base-Base interactions energy: -50.437
where: short stacking energy: -35.367
Base-Backbone interact. energy: 0.100
local terms energy: -50.509704
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -89.179739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.179739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.179739 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -25.708
Base-Backbone interact. energy: 1.380
local terms energy: -60.843005
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -248.901683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.901683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.901683 (E_RNA)
where:
Base-Base interactions energy: -173.118
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.002
local terms energy: -75.781981
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -224.143686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.143686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.143686 (E_RNA)
where:
Base-Base interactions energy: -138.473
where: short stacking energy: -74.838
Base-Backbone interact. energy: -0.088
local terms energy: -85.582175
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -221.733834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.733834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.733834 (E_RNA)
where:
Base-Base interactions energy: -154.323
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.368
local terms energy: -67.042656
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -9.684
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: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -183.091861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.091861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.091861 (E_RNA)
where:
Base-Base interactions energy: -114.927
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.567
local terms energy: -67.598162
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -7.334
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.633
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -190.430158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.430158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.430158 (E_RNA)
where:
Base-Base interactions energy: -124.432
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.271
local terms energy: -65.727532
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -194.105803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.105803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.105803 (E_RNA)
where:
Base-Base interactions energy: -116.247
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.017
local terms energy: -77.841911
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -179.594093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.594093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.594093 (E_RNA)
where:
Base-Base interactions energy: -114.928
where: short stacking energy: -50.949
Base-Backbone interact. energy: 0.653
local terms energy: -65.318957
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -15.010
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: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -98.689637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689637 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.043
local terms energy: -52.480065
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.216
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: 210
Temperature: 1.300000
Total energy: -90.858734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858734 (E_RNA)
where:
Base-Base interactions energy: -22.415
where: short stacking energy: -21.051
Base-Backbone interact. energy: -0.101
local terms energy: -68.343226
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -87.452752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452752 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -20.633
Base-Backbone interact. energy: -1.033
local terms energy: -53.146286
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: 3.951
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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -250.960757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.960757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.960757 (E_RNA)
where:
Base-Base interactions energy: -168.997
where: short stacking energy: -73.444
Base-Backbone interact. energy: -0.578
local terms energy: -81.385710
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -232.969957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.969957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.969957 (E_RNA)
where:
Base-Base interactions energy: -152.728
where: short stacking energy: -74.513
Base-Backbone interact. energy: -0.637
local terms energy: -79.605103
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -222.472884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472884 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.059
local terms energy: -76.412255
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -202.009092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.009092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.009092 (E_RNA)
where:
Base-Base interactions energy: -130.869
where: short stacking energy: -73.353
Base-Backbone interact. energy: -2.485
local terms energy: -68.654987
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -190.973898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.973898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.973898 (E_RNA)
where:
Base-Base interactions energy: -126.142
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.997
local terms energy: -63.835217
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -186.729667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.729667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.729667 (E_RNA)
where:
Base-Base interactions energy: -119.529
where: short stacking energy: -62.865
Base-Backbone interact. energy: 0.729
local terms energy: -67.928993
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -176.671647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.671647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.671647 (E_RNA)
where:
Base-Base interactions energy: -106.113
where: short stacking energy: -58.188
Base-Backbone interact. energy: 0.534
local terms energy: -71.092625
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -89.545459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.545459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.545459 (E_RNA)
where:
Base-Base interactions energy: -41.281
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.027
local terms energy: -48.237827
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -12.294
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: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -90.926130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.926130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.926130 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.093
local terms energy: -59.545266
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -4.346
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: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -97.071401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.071401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.071401 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.147
local terms energy: -44.105406
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -230.137191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.137191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.137191 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -78.498
Base-Backbone interact. energy: -0.095
local terms energy: -73.791129
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -247.616424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.616424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.616424 (E_RNA)
where:
Base-Base interactions energy: -169.279
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.495
local terms energy: -77.842315
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -18.107
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: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -219.730435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.730435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.730435 (E_RNA)
where:
Base-Base interactions energy: -137.436
where: short stacking energy: -75.464
Base-Backbone interact. energy: -0.395
local terms energy: -81.899443
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -215.040041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.040041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.040041 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.157
local terms energy: -78.505841
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -190.736859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.736859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.736859 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.037
local terms energy: -71.255828
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -199.589235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.589235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.589235 (E_RNA)
where:
Base-Base interactions energy: -127.520
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.204
local terms energy: -71.866089
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -181.042083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.042083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.042083 (E_RNA)
where:
Base-Base interactions energy: -112.757
where: short stacking energy: -56.776
Base-Backbone interact. energy: 0.065
local terms energy: -68.349834
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -89.341340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341340 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.173
local terms energy: -53.383584
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -87.425873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.425873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.425873 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -28.420
Base-Backbone interact. energy: -0.303
local terms energy: -58.902986
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -81.838360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838360 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -30.851
Base-Backbone interact. energy: 0.119
local terms energy: -50.427259
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -7.318
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: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -235.258234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.258234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.258234 (E_RNA)
where:
Base-Base interactions energy: -161.974
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.411
local terms energy: -72.872951
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -249.428789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.428789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.428789 (E_RNA)
where:
Base-Base interactions energy: -167.832
where: short stacking energy: -72.591
Base-Backbone interact. energy: -1.505
local terms energy: -80.090854
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -202.545566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.545566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.545566 (E_RNA)
where:
Base-Base interactions energy: -123.088
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.981
local terms energy: -78.477335
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -17.114
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: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -187.636451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.636451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.636451 (E_RNA)
where:
Base-Base interactions energy: -114.924
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.016
local terms energy: -72.696140
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -12.547
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: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -211.368348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.368348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.368348 (E_RNA)
where:
Base-Base interactions energy: -135.961
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.861
local terms energy: -74.545591
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -20.459
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -174.613733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613733 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.532
local terms energy: -61.083822
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -163.637079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.637079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.637079 (E_RNA)
where:
Base-Base interactions energy: -106.330
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.241
local terms energy: -57.065955
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -88.465019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.465019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.465019 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -25.331
Base-Backbone interact. energy: -1.282
local terms energy: -57.816900
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -75.417070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.417070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.417070 (E_RNA)
where:
Base-Base interactions energy: -24.115
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.160
local terms energy: -51.142217
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -78.347980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.347980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.347980 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.047
local terms energy: -40.898633
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -247.113444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.113444 (E_RNA)
where:
Base-Base interactions energy: -165.820
where: short stacking energy: -74.781
Base-Backbone interact. energy: 0.912
local terms energy: -82.205819
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -239.012446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.012446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.012446 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -73.165
Base-Backbone interact. energy: -0.036
local terms energy: -93.374058
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -193.500401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500401 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.025
local terms energy: -83.182610
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -200.879685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.879685 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.163
local terms energy: -73.446393
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -192.196004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.196004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.196004 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.060
local terms energy: -65.981095
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -16.895
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: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -183.190564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.190564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.190564 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.167
local terms energy: -69.669866
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -172.063602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.063602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.063602 (E_RNA)
where:
Base-Base interactions energy: -103.690
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.046
local terms energy: -68.327311
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -91.226116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.226116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.226116 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.129
local terms energy: -52.955992
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -7.720
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -94.155255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.155255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.155255 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.790
local terms energy: -60.433912
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -85.863935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.863935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.863935 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -13.798
Base-Backbone interact. energy: -1.250
local terms energy: -45.456752
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -252.887565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.887565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.887565 (E_RNA)
where:
Base-Base interactions energy: -169.539
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.999
local terms energy: -82.349605
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -22.248
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -219.650696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650696 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.842
local terms energy: -80.766085
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -8.857
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -241.547490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.547490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.547490 (E_RNA)
where:
Base-Base interactions energy: -160.999
where: short stacking energy: -76.309
Base-Backbone interact. energy: -0.000
local terms energy: -80.548223
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -193.425879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.425879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.425879 (E_RNA)
where:
Base-Base interactions energy: -127.228
where: short stacking energy: -55.524
Base-Backbone interact. energy: 0.725
local terms energy: -66.923338
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -12.281
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -190.105958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105958 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.113
local terms energy: -73.620469
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.038
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: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -164.671559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.671559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.671559 (E_RNA)
where:
Base-Base interactions energy: -91.605
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.104
local terms energy: -72.962314
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -173.803025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.803025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.803025 (E_RNA)
where:
Base-Base interactions energy: -105.378
where: short stacking energy: -51.003
Base-Backbone interact. energy: -0.821
local terms energy: -67.603423
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -98.757256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.757256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.757256 (E_RNA)
where:
Base-Base interactions energy: -45.786
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.141
local terms energy: -52.830422
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -8.863
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: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -103.775560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.775560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.775560 (E_RNA)
where:
Base-Base interactions energy: -55.999
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.119
local terms energy: -47.657271
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -91.068604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.068604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.068604 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.046
local terms energy: -59.982231
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -7.573
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -256.438196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.438196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.438196 (E_RNA)
where:
Base-Base interactions energy: -172.879
where: short stacking energy: -77.569
Base-Backbone interact. energy: -0.228
local terms energy: -83.331612
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -21.880
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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -228.331768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.331768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.331768 (E_RNA)
where:
Base-Base interactions energy: -143.470
where: short stacking energy: -82.872
Base-Backbone interact. energy: -1.585
local terms energy: -83.276517
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -235.064009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.064009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064009 (E_RNA)
where:
Base-Base interactions energy: -152.097
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.067
local terms energy: -82.900192
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -19.695
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -207.223804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.223804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.223804 (E_RNA)
where:
Base-Base interactions energy: -132.159
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.872
local terms energy: -74.192378
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -179.781899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.781899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.781899 (E_RNA)
where:
Base-Base interactions energy: -111.402
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.105
local terms energy: -68.274618
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -195.465856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.465856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.465856 (E_RNA)
where:
Base-Base interactions energy: -125.177
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.001
local terms energy: -70.287769
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -168.671026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.671026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.671026 (E_RNA)
where:
Base-Base interactions energy: -100.409
where: short stacking energy: -39.704
Base-Backbone interact. energy: -1.207
local terms energy: -67.054807
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -99.223725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223725 (E_RNA)
where:
Base-Base interactions energy: -41.541
where: short stacking energy: -36.243
Base-Backbone interact. energy: -0.210
local terms energy: -57.472740
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -91.585336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585336 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.245
local terms energy: -57.234172
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -1.594
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: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -79.536051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.536051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.536051 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -22.273
Base-Backbone interact. energy: 1.179
local terms energy: -50.777850
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -253.951947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.951947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.951947 (E_RNA)
where:
Base-Base interactions energy: -175.037
where: short stacking energy: -82.797
Base-Backbone interact. energy: -1.309
local terms energy: -77.605237
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -21.593
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -239.572366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.572366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.572366 (E_RNA)
where:
Base-Base interactions energy: -159.468
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.688
local terms energy: -79.416754
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -208.538897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538897 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.060
local terms energy: -76.048167
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -13.352
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: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -212.886312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.886312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.886312 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.134
local terms energy: -82.505004
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.035
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -194.030743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.030743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.030743 (E_RNA)
where:
Base-Base interactions energy: -119.342
where: short stacking energy: -59.775
Base-Backbone interact. energy: -1.527
local terms energy: -73.161919
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.029
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: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -161.790408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790408 (E_RNA)
where:
Base-Base interactions energy: -106.778
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.203
local terms energy: -54.808922
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -174.525647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.525647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.525647 (E_RNA)
where:
Base-Base interactions energy: -116.054
where: short stacking energy: -49.965
Base-Backbone interact. energy: -0.399
local terms energy: -58.073113
where:
bonds (distance) C4'-P energy: -4.526
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -9.831
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: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -87.564426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.564426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.564426 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.170
local terms energy: -54.687281
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -106.538150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.538150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.538150 (E_RNA)
where:
Base-Base interactions energy: -47.775
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.782
local terms energy: -57.980821
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.181
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: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -95.883077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883077 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.157
local terms energy: -61.819084
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -8.740
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: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -249.513282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.513282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.513282 (E_RNA)
where:
Base-Base interactions energy: -160.326
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.726
local terms energy: -88.461115
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -233.118593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118593 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.398
local terms energy: -83.380187
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -18.516
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: 218
Temperature: 1.000000
Total energy: -225.047596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047596 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -73.918
Base-Backbone interact. energy: 0.413
local terms energy: -82.647914
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -21.418
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: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -210.625447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.625447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.625447 (E_RNA)
where:
Base-Base interactions energy: -133.372
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.410
local terms energy: -76.843139
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -202.817935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.817935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.817935 (E_RNA)
where:
Base-Base interactions energy: -126.593
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.494
local terms energy: -75.730603
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.629
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: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -166.981598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.981598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.981598 (E_RNA)
where:
Base-Base interactions energy: -105.238
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.186
local terms energy: -61.557781
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.300
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -168.789491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.789491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.789491 (E_RNA)
where:
Base-Base interactions energy: -96.209
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.104
local terms energy: -72.475727
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -16.963
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -86.453701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453701 (E_RNA)
where:
Base-Base interactions energy: -32.985
where: short stacking energy: -28.211
Base-Backbone interact. energy: 1.069
local terms energy: -54.537660
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -80.256826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256826 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.603
local terms energy: -51.624269
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -5.165
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -84.663373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663373 (E_RNA)
where:
Base-Base interactions energy: -48.374
where: short stacking energy: -28.745
Base-Backbone interact. energy: -0.441
local terms energy: -35.848948
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -256.439457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.439457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.439457 (E_RNA)
where:
Base-Base interactions energy: -175.445
where: short stacking energy: -82.416
Base-Backbone interact. energy: -1.029
local terms energy: -79.965203
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -227.653140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.653140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.653140 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -83.914
Base-Backbone interact. energy: -2.073
local terms energy: -83.017084
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -220.340997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.340997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.340997 (E_RNA)
where:
Base-Base interactions energy: -141.381
where: short stacking energy: -64.442
Base-Backbone interact. energy: 0.529
local terms energy: -79.488442
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -187.894907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894907 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.238
local terms energy: -72.983620
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -185.712434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.712434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.712434 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -50.814
Base-Backbone interact. energy: -0.352
local terms energy: -58.191454
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -161.947697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.947697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.947697 (E_RNA)
where:
Base-Base interactions energy: -97.519
where: short stacking energy: -43.260
Base-Backbone interact. energy: -0.908
local terms energy: -63.520859
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -6.970
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: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -168.103859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.103859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.103859 (E_RNA)
where:
Base-Base interactions energy: -102.809
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.264
local terms energy: -65.030978
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -10.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -104.541011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.541011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.541011 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.210
local terms energy: -66.801992
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -85.041644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041644 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -28.983
Base-Backbone interact. energy: 3.922
local terms energy: -59.981365
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -1.389
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -86.401538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.401538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.401538 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -39.839
Base-Backbone interact. energy: -0.198
local terms energy: -46.364435
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -255.812232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.812232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.812232 (E_RNA)
where:
Base-Base interactions energy: -175.263
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.324
local terms energy: -80.224844
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -232.999478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.999478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999478 (E_RNA)
where:
Base-Base interactions energy: -144.215
where: short stacking energy: -79.100
Base-Backbone interact. energy: -0.867
local terms energy: -87.917583
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -225.120682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.120682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.120682 (E_RNA)
where:
Base-Base interactions energy: -145.831
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.754
local terms energy: -78.535047
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -19.950
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -208.335783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.335783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.335783 (E_RNA)
where:
Base-Base interactions energy: -131.181
where: short stacking energy: -65.596
Base-Backbone interact. energy: -1.169
local terms energy: -75.985983
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -171.426126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.426126 (E_RNA)
where:
Base-Base interactions energy: -108.805
where: short stacking energy: -47.129
Base-Backbone interact. energy: 0.223
local terms energy: -62.844624
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -6.157
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: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -202.865140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.865140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.865140 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.643
local terms energy: -79.825974
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -13.890
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: 220
Temperature: 1.200000
Total energy: -115.734282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.734282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.734282 (E_RNA)
where:
Base-Base interactions energy: -49.060
where: short stacking energy: -43.827
Base-Backbone interact. energy: -0.155
local terms energy: -66.519780
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -174.286930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.286930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.286930 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -47.017
Base-Backbone interact. energy: -1.173
local terms energy: -58.706363
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -7.562
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -86.799154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.799154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.799154 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.157
local terms energy: -46.348969
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -98.435632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.435632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.435632 (E_RNA)
where:
Base-Base interactions energy: -43.439
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.311
local terms energy: -54.685336
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -257.113476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.113476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.113476 (E_RNA)
where:
Base-Base interactions energy: -176.442
where: short stacking energy: -75.827
Base-Backbone interact. energy: -0.359
local terms energy: -80.312912
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -236.340887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.340887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.340887 (E_RNA)
where:
Base-Base interactions energy: -156.527
where: short stacking energy: -66.603
Base-Backbone interact. energy: -1.023
local terms energy: -78.791199
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -13.990
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: 221
Temperature: 1.000000
Total energy: -229.268423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.268423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.268423 (E_RNA)
where:
Base-Base interactions energy: -147.146
where: short stacking energy: -82.941
Base-Backbone interact. energy: -0.195
local terms energy: -81.927416
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -187.037364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.037364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.037364 (E_RNA)
where:
Base-Base interactions energy: -111.903
where: short stacking energy: -60.631
Base-Backbone interact. energy: -0.249
local terms energy: -74.884625
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -205.128083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.128083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.128083 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.112
local terms energy: -76.232272
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -195.784406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.784406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.784406 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.038
local terms energy: -69.520325
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -14.431
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: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -97.902747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.902747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.902747 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.125
local terms energy: -51.506159
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -154.676448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.676448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.676448 (E_RNA)
where:
Base-Base interactions energy: -103.289
where: short stacking energy: -47.715
Base-Backbone interact. energy: -0.268
local terms energy: -51.119673
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -89.226303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226303 (E_RNA)
where:
Base-Base interactions energy: -41.686
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.234
local terms energy: -47.306386
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.119601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.119601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.119601 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -19.838
Base-Backbone interact. energy: -0.415
local terms energy: -43.671812
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -1.933
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: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -258.996890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.996890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.996890 (E_RNA)
where:
Base-Base interactions energy: -180.072
where: short stacking energy: -82.199
Base-Backbone interact. energy: -0.667
local terms energy: -78.257851
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -21.673
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -235.853814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.853814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.853814 (E_RNA)
where:
Base-Base interactions energy: -155.354
where: short stacking energy: -72.132
Base-Backbone interact. energy: -1.718
local terms energy: -78.781933
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -226.397988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.397988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.397988 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -80.505
Base-Backbone interact. energy: -1.263
local terms energy: -79.574644
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -9.604
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: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -190.101833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.101833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.101833 (E_RNA)
where:
Base-Base interactions energy: -109.432
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.009
local terms energy: -80.660235
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -189.759044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.759044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.759044 (E_RNA)
where:
Base-Base interactions energy: -125.922
where: short stacking energy: -56.145
Base-Backbone interact. energy: -0.360
local terms energy: -63.477065
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -12.595
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: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -168.153585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.153585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.153585 (E_RNA)
where:
Base-Base interactions energy: -100.066
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.145
local terms energy: -67.943168
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -11.821
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: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -158.439515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.439515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.439515 (E_RNA)
where:
Base-Base interactions energy: -89.290
where: short stacking energy: -42.975
Base-Backbone interact. energy: -0.378
local terms energy: -68.771236
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -111.053641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.053641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.053641 (E_RNA)
where:
Base-Base interactions energy: -47.216
where: short stacking energy: -47.108
Base-Backbone interact. energy: -0.013
local terms energy: -63.823984
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -88.611522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.611522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.611522 (E_RNA)
where:
Base-Base interactions energy: -40.011
where: short stacking energy: -19.518
Base-Backbone interact. energy: -0.088
local terms energy: -48.512408
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 0.013
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: 222
Temperature: 1.350000
Total energy: -85.656141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.656141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.656141 (E_RNA)
where:
Base-Base interactions energy: -28.424
where: short stacking energy: -23.601
Base-Backbone interact. energy: -0.185
local terms energy: -57.047106
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -2.552
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: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -255.827182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.827182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.827182 (E_RNA)
where:
Base-Base interactions energy: -181.761
where: short stacking energy: -72.581
Base-Backbone interact. energy: -0.454
local terms energy: -73.611626
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -225.998021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.998021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.998021 (E_RNA)
where:
Base-Base interactions energy: -132.970
where: short stacking energy: -78.692
Base-Backbone interact. energy: -0.031
local terms energy: -92.996987
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -237.207034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.207034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.207034 (E_RNA)
where:
Base-Base interactions energy: -162.044
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.461
local terms energy: -74.702329
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -190.820187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.820187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.820187 (E_RNA)
where:
Base-Base interactions energy: -120.632
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.009
local terms energy: -70.179071
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -183.044368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.044368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.044368 (E_RNA)
where:
Base-Base interactions energy: -104.353
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.921
local terms energy: -77.770110
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -170.716708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.716708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.716708 (E_RNA)
where:
Base-Base interactions energy: -95.329
where: short stacking energy: -52.687
Base-Backbone interact. energy: -0.472
local terms energy: -74.915872
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -156.012407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.012407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.012407 (E_RNA)
where:
Base-Base interactions energy: -94.210
where: short stacking energy: -42.886
Base-Backbone interact. energy: 1.980
local terms energy: -63.782142
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -107.949791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.949791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.949791 (E_RNA)
where:
Base-Base interactions energy: -48.648
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.199
local terms energy: -59.102636
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -8.793
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: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -97.507528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.507528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.507528 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -33.217
Base-Backbone interact. energy: -1.259
local terms energy: -52.781194
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -80.895391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.895391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.895391 (E_RNA)
where:
Base-Base interactions energy: -29.359
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.051
local terms energy: -51.484893
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -249.981904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.981904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.981904 (E_RNA)
where:
Base-Base interactions energy: -168.259
where: short stacking energy: -81.229
Base-Backbone interact. energy: -0.330
local terms energy: -81.393035
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -225.968962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968962 (E_RNA)
where:
Base-Base interactions energy: -138.155
where: short stacking energy: -75.697
Base-Backbone interact. energy: 0.332
local terms energy: -88.145635
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -226.818800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.818800 (E_RNA)
where:
Base-Base interactions energy: -149.039
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.252
local terms energy: -77.527609
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -201.364252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.364252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.364252 (E_RNA)
where:
Base-Base interactions energy: -128.472
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.653
local terms energy: -72.238800
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -178.259285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259285 (E_RNA)
where:
Base-Base interactions energy: -111.021
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.546
local terms energy: -66.692703
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -11.673
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -182.441628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.441628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.441628 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.039
local terms energy: -64.891434
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -18.806
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: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -188.992739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.992739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.992739 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -57.815
Base-Backbone interact. energy: 0.711
local terms energy: -71.622734
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -101.605267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.605267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.605267 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.221
local terms energy: -63.245393
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -10.296
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -86.946211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946211 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.077
local terms energy: -40.173051
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: 3.153
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -80.819333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.819333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.819333 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -19.052
Base-Backbone interact. energy: -0.282
local terms energy: -53.338450
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -253.370506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.370506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.370506 (E_RNA)
where:
Base-Base interactions energy: -166.144
where: short stacking energy: -78.572
Base-Backbone interact. energy: -0.313
local terms energy: -86.914296
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -224.721988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.721988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.721988 (E_RNA)
where:
Base-Base interactions energy: -140.755
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.116
local terms energy: -83.851464
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -19.484
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: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -219.286191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.286191 (E_RNA)
where:
Base-Base interactions energy: -134.924
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.056
local terms energy: -84.305530
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -19.695
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -213.247116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.247116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.247116 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.544
local terms energy: -78.173822
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -186.729841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.729841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.729841 (E_RNA)
where:
Base-Base interactions energy: -120.874
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.292
local terms energy: -65.563951
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -188.807303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.807303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.807303 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -63.802
Base-Backbone interact. energy: -0.126
local terms energy: -66.423693
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -176.079676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079676 (E_RNA)
where:
Base-Base interactions energy: -113.403
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.062
local terms energy: -62.614875
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -92.181562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.181562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.181562 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -32.187
Base-Backbone interact. energy: 0.333
local terms energy: -56.752223
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -89.701009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701009 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.656
local terms energy: -48.951635
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.241
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -83.968753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.968753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.968753 (E_RNA)
where:
Base-Base interactions energy: -40.217
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.312
local terms energy: -43.439639
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: 4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -260.671859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.671859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.671859 (E_RNA)
where:
Base-Base interactions energy: -174.899
where: short stacking energy: -81.642
Base-Backbone interact. energy: -1.304
local terms energy: -84.469202
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -227.484947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.484947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.484947 (E_RNA)
where:
Base-Base interactions energy: -154.736
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.506
local terms energy: -72.243425
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -224.037453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.037453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.037453 (E_RNA)
where:
Base-Base interactions energy: -144.993
where: short stacking energy: -85.073
Base-Backbone interact. energy: -0.418
local terms energy: -78.626247
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -213.721015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.721015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.721015 (E_RNA)
where:
Base-Base interactions energy: -139.622
where: short stacking energy: -84.873
Base-Backbone interact. energy: -0.285
local terms energy: -73.814264
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.647
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: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -198.637681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.637681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.637681 (E_RNA)
where:
Base-Base interactions energy: -127.329
where: short stacking energy: -61.855
Base-Backbone interact. energy: -0.005
local terms energy: -71.303573
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.377
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -179.554492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.554492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.554492 (E_RNA)
where:
Base-Base interactions energy: -112.064
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.226
local terms energy: -67.263681
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -184.062158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.062158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.062158 (E_RNA)
where:
Base-Base interactions energy: -116.642
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.967
local terms energy: -66.453441
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -90.998488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998488 (E_RNA)
where:
Base-Base interactions energy: -34.772
where: short stacking energy: -34.772
Base-Backbone interact. energy: -0.422
local terms energy: -55.803995
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -94.868107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.868107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.868107 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -34.565
Base-Backbone interact. energy: 0.408
local terms energy: -60.710332
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -83.357545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357545 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -23.120
Base-Backbone interact. energy: -1.095
local terms energy: -50.527903
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -252.757588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.757588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.757588 (E_RNA)
where:
Base-Base interactions energy: -170.748
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.403
local terms energy: -81.607173
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -230.115816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.115816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.115816 (E_RNA)
where:
Base-Base interactions energy: -147.068
where: short stacking energy: -82.052
Base-Backbone interact. energy: -0.211
local terms energy: -82.836542
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -224.743429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.743429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.743429 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.063
local terms energy: -83.451182
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -221.514419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.514419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.514419 (E_RNA)
where:
Base-Base interactions energy: -139.077
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.004
local terms energy: -82.433792
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -12.136
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: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -193.501847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.501847 (E_RNA)
where:
Base-Base interactions energy: -120.879
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.011
local terms energy: -72.612124
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -183.789104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.789104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.789104 (E_RNA)
where:
Base-Base interactions energy: -110.290
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.708
local terms energy: -72.791518
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -164.474335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.474335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.474335 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.061
local terms energy: -62.652704
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -102.735761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.735761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.735761 (E_RNA)
where:
Base-Base interactions energy: -51.396
where: short stacking energy: -31.715
Base-Backbone interact. energy: -1.505
local terms energy: -49.834457
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -6.580
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -92.955074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955074 (E_RNA)
where:
Base-Base interactions energy: -39.535
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.030
local terms energy: -53.390272
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -7.607
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: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -88.821011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821011 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -35.170
Base-Backbone interact. energy: -0.292
local terms energy: -49.320426
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -3.876
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: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -249.478486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.478486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.478486 (E_RNA)
where:
Base-Base interactions energy: -160.873
where: short stacking energy: -75.230
Base-Backbone interact. energy: -0.405
local terms energy: -88.200356
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -231.836256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.836256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.836256 (E_RNA)
where:
Base-Base interactions energy: -152.911
where: short stacking energy: -76.245
Base-Backbone interact. energy: -1.660
local terms energy: -77.265763
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.907798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907798 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.602
local terms energy: -74.564261
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -6.319
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: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -216.939630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939630 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.302
local terms energy: -73.220942
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.051
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: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -185.758707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.758707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.758707 (E_RNA)
where:
Base-Base interactions energy: -113.670
where: short stacking energy: -64.184
Base-Backbone interact. energy: -1.207
local terms energy: -70.881253
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -16.485
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: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -193.664418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.664418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.664418 (E_RNA)
where:
Base-Base interactions energy: -127.973
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.101
local terms energy: -65.590431
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -185.838409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.838409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.838409 (E_RNA)
where:
Base-Base interactions energy: -121.922
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.049
local terms energy: -63.867845
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -96.930987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.930987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.930987 (E_RNA)
where:
Base-Base interactions energy: -45.975
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.562
local terms energy: -51.517804
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.772
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: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -99.036138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.036138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.036138 (E_RNA)
where:
Base-Base interactions energy: -54.154
where: short stacking energy: -21.959
Base-Backbone interact. energy: -0.629
local terms energy: -44.252971
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -83.870193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.870193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.870193 (E_RNA)
where:
Base-Base interactions energy: -25.823
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.038
local terms energy: -58.009725
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -7.097
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: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -252.901227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.901227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.901227 (E_RNA)
where:
Base-Base interactions energy: -176.764
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.532
local terms energy: -75.604981
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -233.869707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.869707 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.509
local terms energy: -76.057803
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -20.798
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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -217.935929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.935929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.935929 (E_RNA)
where:
Base-Base interactions energy: -140.155
where: short stacking energy: -76.696
Base-Backbone interact. energy: -1.075
local terms energy: -76.705483
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -183.721941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.721941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721941 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.075
local terms energy: -70.042331
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -17.649
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -210.879594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.879594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.879594 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.721
local terms energy: -71.239334
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -185.058432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.058432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.058432 (E_RNA)
where:
Base-Base interactions energy: -116.646
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.137
local terms energy: -68.275931
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -12.237
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -184.402089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.402089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.402089 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.038
local terms energy: -68.099668
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -99.987960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.987960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.987960 (E_RNA)
where:
Base-Base interactions energy: -43.438
where: short stacking energy: -41.528
Base-Backbone interact. energy: 0.686
local terms energy: -57.236594
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -11.056
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: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -101.729415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.729415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.729415 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -36.532
Base-Backbone interact. energy: -0.348
local terms energy: -49.964334
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -93.832584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.832584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.832584 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.694
local terms energy: -54.699838
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -4.156
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: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -258.343056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.343056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.343056 (E_RNA)
where:
Base-Base interactions energy: -172.149
where: short stacking energy: -83.157
Base-Backbone interact. energy: -0.375
local terms energy: -85.819756
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -226.217635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217635 (E_RNA)
where:
Base-Base interactions energy: -143.694
where: short stacking energy: -81.732
Base-Backbone interact. energy: 0.949
local terms energy: -83.472368
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -14.130
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: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -216.161345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.161345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161345 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -74.741
Base-Backbone interact. energy: -0.738
local terms energy: -79.951196
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -177.125090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.125090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.125090 (E_RNA)
where:
Base-Base interactions energy: -109.851
where: short stacking energy: -66.152
Base-Backbone interact. energy: -0.019
local terms energy: -67.255567
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -217.890614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.890614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890614 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -69.623
Base-Backbone interact. energy: 0.870
local terms energy: -74.712109
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -19.764
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: 230
Temperature: 1.150000
Total energy: -185.173549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.173549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.173549 (E_RNA)
where:
Base-Base interactions energy: -106.365
where: short stacking energy: -58.858
Base-Backbone interact. energy: -1.192
local terms energy: -77.616407
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -15.869
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: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -177.549972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.549972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.549972 (E_RNA)
where:
Base-Base interactions energy: -113.651
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.532
local terms energy: -63.367400
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -13.522
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -107.421607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.421607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.421607 (E_RNA)
where:
Base-Base interactions energy: -49.014
where: short stacking energy: -35.651
Base-Backbone interact. energy: -0.170
local terms energy: -58.237672
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -93.618523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.618523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.618523 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -30.549
Base-Backbone interact. energy: -0.056
local terms energy: -59.128938
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -7.721
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: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -85.513333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.513333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.513333 (E_RNA)
where:
Base-Base interactions energy: -21.430
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.133
local terms energy: -63.949934
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -253.594550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.594550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.594550 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -85.298
Base-Backbone interact. energy: -0.450
local terms energy: -79.943493
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.356
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: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -229.499430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.499430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.499430 (E_RNA)
where:
Base-Base interactions energy: -148.935
where: short stacking energy: -76.533
Base-Backbone interact. energy: -1.046
local terms energy: -79.518356
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -210.546253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.546253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.546253 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -63.495
Base-Backbone interact. energy: -1.455
local terms energy: -75.009010
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -227.636560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.636560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.636560 (E_RNA)
where:
Base-Base interactions energy: -152.622
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.299
local terms energy: -74.715360
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -159.884314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.884314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.884314 (E_RNA)
where:
Base-Base interactions energy: -93.266
where: short stacking energy: -45.966
Base-Backbone interact. energy: -0.734
local terms energy: -65.884520
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -7.699
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -192.672029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.672029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.672029 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.376
local terms energy: -65.687914
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -167.802890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.802890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.802890 (E_RNA)
where:
Base-Base interactions energy: -106.709
where: short stacking energy: -57.338
Base-Backbone interact. energy: 0.530
local terms energy: -61.623899
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -95.394306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.394306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.394306 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.126
local terms energy: -57.139701
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -87.143731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143731 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.014
local terms energy: -55.049389
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -90.537516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.537516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.537516 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.253
local terms energy: -59.902528
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -235.638754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.638754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.638754 (E_RNA)
where:
Base-Base interactions energy: -147.187
where: short stacking energy: -80.986
Base-Backbone interact. energy: -0.741
local terms energy: -87.711064
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.345
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -248.378149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.378149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.378149 (E_RNA)
where:
Base-Base interactions energy: -162.543
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.601
local terms energy: -85.234643
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -225.653673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.653673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.653673 (E_RNA)
where:
Base-Base interactions energy: -146.679
where: short stacking energy: -73.047
Base-Backbone interact. energy: -0.071
local terms energy: -78.903196
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.804
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: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -221.551624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.551624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.551624 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.086
local terms energy: -79.984079
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -187.286887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.286887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.286887 (E_RNA)
where:
Base-Base interactions energy: -113.268
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.345
local terms energy: -73.673349
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -169.311269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.311269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.311269 (E_RNA)
where:
Base-Base interactions energy: -101.819
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.094
local terms energy: -67.397865
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -164.621056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621056 (E_RNA)
where:
Base-Base interactions energy: -104.258
where: short stacking energy: -48.397
Base-Backbone interact. energy: -1.528
local terms energy: -58.835015
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -104.702879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.702879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.702879 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.010
local terms energy: -66.249743
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -100.366520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.366520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.366520 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.170
local terms energy: -62.484167
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.514101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514101 (E_RNA)
where:
Base-Base interactions energy: -28.150
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.174
local terms energy: -53.190167
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -0.113
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: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -232.972573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.972573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.972573 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.260
local terms energy: -80.008975
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -246.720130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.720130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.720130 (E_RNA)
where:
Base-Base interactions energy: -164.730
where: short stacking energy: -74.002
Base-Backbone interact. energy: -0.522
local terms energy: -81.468499
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -209.125779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.125779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.125779 (E_RNA)
where:
Base-Base interactions energy: -138.986
where: short stacking energy: -67.377
Base-Backbone interact. energy: 0.421
local terms energy: -70.560983
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -14.045
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: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -191.412154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.412154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.412154 (E_RNA)
where:
Base-Base interactions energy: -122.726
where: short stacking energy: -55.126
Base-Backbone interact. energy: -1.032
local terms energy: -67.653527
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -205.059247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.059247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.059247 (E_RNA)
where:
Base-Base interactions energy: -129.888
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.029
local terms energy: -75.141466
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -160.589361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.589361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.589361 (E_RNA)
where:
Base-Base interactions energy: -94.426
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.126
local terms energy: -66.037560
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -153.266551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.266551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.266551 (E_RNA)
where:
Base-Base interactions energy: -96.764
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.375
local terms energy: -56.127947
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -5.986
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: 233
Temperature: 1.250000
Total energy: -99.765589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765589 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -35.198
Base-Backbone interact. energy: 0.829
local terms energy: -61.708426
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -97.088797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.088797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.088797 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -23.927
Base-Backbone interact. energy: -0.132
local terms energy: -58.310049
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.933
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -85.964847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.964847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.964847 (E_RNA)
where:
Base-Base interactions energy: -36.778
where: short stacking energy: -35.433
Base-Backbone interact. energy: -0.122
local terms energy: -49.064757
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -250.870344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.870344 (E_RNA)
where:
Base-Base interactions energy: -166.489
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.141
local terms energy: -84.240729
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -235.625241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.625241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.625241 (E_RNA)
where:
Base-Base interactions energy: -153.656
where: short stacking energy: -68.962
Base-Backbone interact. energy: -0.092
local terms energy: -81.876646
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -10.914
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: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -199.114459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.114459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.114459 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.611
local terms energy: -72.991816
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -12.584
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: 234
Temperature: 1.050000
Total energy: -215.767403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.767403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.767403 (E_RNA)
where:
Base-Base interactions energy: -140.863
where: short stacking energy: -69.909
Base-Backbone interact. energy: -1.270
local terms energy: -73.634923
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.592
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: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -206.564292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.564292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.564292 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.050
local terms energy: -76.962514
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -155.934290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.934290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.934290 (E_RNA)
where:
Base-Base interactions energy: -97.622
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.072
local terms energy: -58.240230
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -99.216976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.216976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.216976 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -30.603
Base-Backbone interact. energy: -1.454
local terms energy: -59.213133
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -169.074125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.074125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.074125 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -46.511
Base-Backbone interact. energy: -0.534
local terms energy: -64.013938
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -7.293
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: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -93.338278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.338278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.338278 (E_RNA)
where:
Base-Base interactions energy: -50.401
where: short stacking energy: -40.989
Base-Backbone interact. energy: 1.891
local terms energy: -44.828224
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -84.265694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265694 (E_RNA)
where:
Base-Base interactions energy: -24.948
where: short stacking energy: -24.683
Base-Backbone interact. energy: 0.783
local terms energy: -60.101017
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -4.722
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: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -256.972024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.972024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.972024 (E_RNA)
where:
Base-Base interactions energy: -171.228
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.252
local terms energy: -85.491808
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -231.138158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.138158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.138158 (E_RNA)
where:
Base-Base interactions energy: -146.451
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.737
local terms energy: -83.950302
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -213.696444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.696444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.696444 (E_RNA)
where:
Base-Base interactions energy: -133.952
where: short stacking energy: -71.835
Base-Backbone interact. energy: -1.571
local terms energy: -78.173252
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -201.852894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.852894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.852894 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.502
local terms energy: -80.160962
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -201.189961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.189961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.189961 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.188
local terms energy: -65.090812
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -116.833736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.833736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.833736 (E_RNA)
where:
Base-Base interactions energy: -59.219
where: short stacking energy: -34.256
Base-Backbone interact. energy: -1.221
local terms energy: -56.393386
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -2.446
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: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -103.964314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.964314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.964314 (E_RNA)
where:
Base-Base interactions energy: -48.904
where: short stacking energy: -40.142
Base-Backbone interact. energy: 0.709
local terms energy: -55.769672
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.080
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: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -161.453230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.453230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.453230 (E_RNA)
where:
Base-Base interactions energy: -86.538
where: short stacking energy: -39.136
Base-Backbone interact. energy: -1.093
local terms energy: -73.822717
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -104.853946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.853946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.853946 (E_RNA)
where:
Base-Base interactions energy: -52.261
where: short stacking energy: -30.401
Base-Backbone interact. energy: 0.017
local terms energy: -52.609654
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -92.576078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.576078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.576078 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.290
local terms energy: -60.381835
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -250.299461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.299461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.299461 (E_RNA)
where:
Base-Base interactions energy: -174.633
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.137
local terms energy: -75.529477
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -237.136286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.136286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.136286 (E_RNA)
where:
Base-Base interactions energy: -162.158
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.514
local terms energy: -74.463707
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -225.749802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749802 (E_RNA)
where:
Base-Base interactions energy: -145.647
where: short stacking energy: -79.695
Base-Backbone interact. energy: -0.656
local terms energy: -79.446965
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -25.798
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: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -217.199466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199466 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -72.340
Base-Backbone interact. energy: -0.115
local terms energy: -83.298214
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -214.032322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.032322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.032322 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -67.484
Base-Backbone interact. energy: 1.144
local terms energy: -78.266995
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -118.580706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580706 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.030
local terms energy: -65.218504
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -12.668
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: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -169.361687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.361687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.361687 (E_RNA)
where:
Base-Base interactions energy: -106.590
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.112
local terms energy: -62.659466
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -98.656297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.656297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.656297 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.353
local terms energy: -53.650164
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -99.273864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273864 (E_RNA)
where:
Base-Base interactions energy: -52.179
where: short stacking energy: -27.377
Base-Backbone interact. energy: 1.136
local terms energy: -48.230886
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.551708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.551708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.551708 (E_RNA)
where:
Base-Base interactions energy: -28.144
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.048
local terms energy: -53.359400
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -6.964
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -1.532
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -255.569805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.569805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.569805 (E_RNA)
where:
Base-Base interactions energy: -174.123
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.782
local terms energy: -80.665149
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -223.252198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.252198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.252198 (E_RNA)
where:
Base-Base interactions energy: -139.372
where: short stacking energy: -80.064
Base-Backbone interact. energy: -1.142
local terms energy: -82.737338
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -231.579132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.579132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.579132 (E_RNA)
where:
Base-Base interactions energy: -153.036
where: short stacking energy: -63.978
Base-Backbone interact. energy: -1.370
local terms energy: -77.173130
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -221.479257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479257 (E_RNA)
where:
Base-Base interactions energy: -144.403
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.662
local terms energy: -76.414731
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -189.875081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.875081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.875081 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.001
local terms energy: -65.587281
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -8.141
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -11.013
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -181.271912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.271912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.271912 (E_RNA)
where:
Base-Base interactions energy: -112.422
where: short stacking energy: -56.931
Base-Backbone interact. energy: -1.345
local terms energy: -67.503995
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -97.049953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.049953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.049953 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -39.100
Base-Backbone interact. energy: -0.123
local terms energy: -57.827336
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -6.723
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -95.218012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.218012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.218012 (E_RNA)
where:
Base-Base interactions energy: -43.901
where: short stacking energy: -38.934
Base-Backbone interact. energy: 0.714
local terms energy: -52.030873
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -2.455
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: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -81.752564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.752564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.752564 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -30.740
Base-Backbone interact. energy: 4.712
local terms energy: -52.747583
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.520
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: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.906040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.906040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.906040 (E_RNA)
where:
Base-Base interactions energy: -30.207
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.196
local terms energy: -54.502964
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -5.270
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: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -254.131576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.131576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.131576 (E_RNA)
where:
Base-Base interactions energy: -171.641
where: short stacking energy: -77.162
Base-Backbone interact. energy: -0.799
local terms energy: -81.691616
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -218.626184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626184 (E_RNA)
where:
Base-Base interactions energy: -139.766
where: short stacking energy: -73.645
Base-Backbone interact. energy: -0.447
local terms energy: -78.413931
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -225.796753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796753 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.493
local terms energy: -77.778766
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -197.348153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.348153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.348153 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -59.033
Base-Backbone interact. energy: 2.066
local terms energy: -73.252906
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -199.520026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.520026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.520026 (E_RNA)
where:
Base-Base interactions energy: -124.480
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.010
local terms energy: -75.029883
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -18.245
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: 238
Temperature: 1.150000
Total energy: -188.806254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.806254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.806254 (E_RNA)
where:
Base-Base interactions energy: -117.795
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.105
local terms energy: -70.906077
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -105.334806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.334806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.334806 (E_RNA)
where:
Base-Base interactions energy: -50.257
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.218
local terms energy: -54.859920
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.035127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035127 (E_RNA)
where:
Base-Base interactions energy: -39.104
where: short stacking energy: -34.912
Base-Backbone interact. energy: 1.003
local terms energy: -50.934175
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.492
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: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -96.423719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.423719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.423719 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.178
local terms energy: -57.548634
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -84.480143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.480143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.480143 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -26.916
Base-Backbone interact. energy: -0.130
local terms energy: -57.434002
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -1.123
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -249.962813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.962813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.962813 (E_RNA)
where:
Base-Base interactions energy: -167.865
where: short stacking energy: -79.789
Base-Backbone interact. energy: -0.945
local terms energy: -81.152794
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -209.235654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.235654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.235654 (E_RNA)
where:
Base-Base interactions energy: -131.976
where: short stacking energy: -70.667
Base-Backbone interact. energy: 0.123
local terms energy: -77.382830
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -13.148
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: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -243.546152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.546152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.546152 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -78.631
Base-Backbone interact. energy: -1.152
local terms energy: -79.277940
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -209.756381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.756381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.756381 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.032
local terms energy: -75.277008
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -219.238664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.238664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.238664 (E_RNA)
where:
Base-Base interactions energy: -147.922
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.114
local terms energy: -71.201779
where:
bonds (distance) C4'-P energy: -4.571
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -173.004646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.004646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.004646 (E_RNA)
where:
Base-Base interactions energy: -108.667
where: short stacking energy: -56.792
Base-Backbone interact. energy: -0.221
local terms energy: -64.116703
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -110.280622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280622 (E_RNA)
where:
Base-Base interactions energy: -48.850
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.255
local terms energy: -61.175366
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -3.971
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: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -94.007578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.007578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.007578 (E_RNA)
where:
Base-Base interactions energy: -36.102
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.020
local terms energy: -57.885260
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -98.007879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.007879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.007879 (E_RNA)
where:
Base-Base interactions energy: -44.848
where: short stacking energy: -45.748
Base-Backbone interact. energy: -0.181
local terms energy: -52.978815
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -5.274
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: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -89.892701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892701 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -26.848
Base-Backbone interact. energy: 1.219
local terms energy: -42.932576
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -1.526
tors. eta vs tors. theta energy: 1.636
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: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -242.872202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.872202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.872202 (E_RNA)
where:
Base-Base interactions energy: -159.212
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.720
local terms energy: -82.940828
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -13.018
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: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -216.895546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895546 (E_RNA)
where:
Base-Base interactions energy: -137.925
where: short stacking energy: -73.994
Base-Backbone interact. energy: -0.418
local terms energy: -78.552637
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -233.605039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.605039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.605039 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -63.112
Base-Backbone interact. energy: 0.629
local terms energy: -82.417657
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -195.142500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.142500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.142500 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -61.325
Base-Backbone interact. energy: -0.277
local terms energy: -76.095799
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -192.479149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479149 (E_RNA)
where:
Base-Base interactions energy: -122.405
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.175
local terms energy: -69.898956
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -203.102868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.102868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.102868 (E_RNA)
where:
Base-Base interactions energy: -126.412
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.003
local terms energy: -76.687627
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -14.965
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: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -94.458139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.458139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.458139 (E_RNA)
where:
Base-Base interactions energy: -37.469
where: short stacking energy: -28.242
Base-Backbone interact. energy: -0.177
local terms energy: -56.812010
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -5.577
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: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -103.813397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.813397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.813397 (E_RNA)
where:
Base-Base interactions energy: -56.522
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.435
local terms energy: -46.857060
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -4.191
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: 240
Temperature: 1.300000
Total energy: -136.985785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.985785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.985785 (E_RNA)
where:
Base-Base interactions energy: -82.546
where: short stacking energy: -40.062
Base-Backbone interact. energy: 0.712
local terms energy: -55.151844
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -88.484883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484883 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -38.088
Base-Backbone interact. energy: 0.229
local terms energy: -49.487219
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -3.215
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -254.886315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.886315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.886315 (E_RNA)
where:
Base-Base interactions energy: -175.621
where: short stacking energy: -79.022
Base-Backbone interact. energy: -0.250
local terms energy: -79.015180
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -239.542157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.542157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.542157 (E_RNA)
where:
Base-Base interactions energy: -157.644
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.926
local terms energy: -80.971752
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -222.111165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.111165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.111165 (E_RNA)
where:
Base-Base interactions energy: -143.187
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.791
local terms energy: -78.133924
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.959
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: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -182.208578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.208578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.208578 (E_RNA)
where:
Base-Base interactions energy: -103.240
where: short stacking energy: -62.696
Base-Backbone interact. energy: -0.086
local terms energy: -78.882523
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -13.478
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: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -192.871614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.871614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.871614 (E_RNA)
where:
Base-Base interactions energy: -115.571
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.624
local terms energy: -76.677014
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -169.707587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.707587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.707587 (E_RNA)
where:
Base-Base interactions energy: -104.825
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.470
local terms energy: -64.412633
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -97.848813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.848813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.848813 (E_RNA)
where:
Base-Base interactions energy: -51.558
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.505
local terms energy: -45.785985
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -89.715524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.715524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.715524 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -16.838
Base-Backbone interact. energy: -0.280
local terms energy: -46.687125
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -2.765
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -125.710882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.710882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.710882 (E_RNA)
where:
Base-Base interactions energy: -65.833
where: short stacking energy: -48.231
Base-Backbone interact. energy: -0.005
local terms energy: -59.873450
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -87.262980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.262980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.262980 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.166
local terms energy: -45.120502
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -246.665255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.665255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.665255 (E_RNA)
where:
Base-Base interactions energy: -160.661
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.599
local terms energy: -85.405580
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -253.683328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.683328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.683328 (E_RNA)
where:
Base-Base interactions energy: -172.278
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.168
local terms energy: -81.237175
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.382
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: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -222.180420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.180420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.180420 (E_RNA)
where:
Base-Base interactions energy: -145.099
where: short stacking energy: -80.170
Base-Backbone interact. energy: -0.042
local terms energy: -77.039664
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -213.347668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.347668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.347668 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -76.508
Base-Backbone interact. energy: -0.483
local terms energy: -78.622849
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.367
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: 242
Temperature: 1.100000
Total energy: -202.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.993593 (E_RNA)
where:
Base-Base interactions energy: -135.424
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.279
local terms energy: -67.290547
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -15.096
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -169.923976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.923976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.923976 (E_RNA)
where:
Base-Base interactions energy: -104.047
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.352
local terms energy: -65.524784
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -104.112567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.112567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.112567 (E_RNA)
where:
Base-Base interactions energy: -51.445
where: short stacking energy: -42.907
Base-Backbone interact. energy: 1.348
local terms energy: -54.016126
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -7.925
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: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -104.595321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.595321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.595321 (E_RNA)
where:
Base-Base interactions energy: -49.427
where: short stacking energy: -33.098
Base-Backbone interact. energy: 0.692
local terms energy: -55.860266
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -5.097
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: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -94.157771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.157771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.157771 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.501
local terms energy: -47.916994
where:
bonds (distance) C4'-P energy: -5.162
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -84.911487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.911487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.911487 (E_RNA)
where:
Base-Base interactions energy: -41.834
where: short stacking energy: -16.701
Base-Backbone interact. energy: 0.615
local terms energy: -43.692427
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: 6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -241.175750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.175750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.175750 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -70.262
Base-Backbone interact. energy: 1.059
local terms energy: -84.196567
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -11.462
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: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -225.881564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.881564 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.490
local terms energy: -83.211327
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -248.323634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.323634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.323634 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.935
local terms energy: -77.345220
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -21.730
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: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -213.435034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.435034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435034 (E_RNA)
where:
Base-Base interactions energy: -143.077
where: short stacking energy: -70.048
Base-Backbone interact. energy: 0.222
local terms energy: -70.580351
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -18.849
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: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -209.035569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.035569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.035569 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -63.236
Base-Backbone interact. energy: -1.215
local terms energy: -83.207863
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -192.948149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948149 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.003
local terms energy: -72.267338
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -100.381624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.381624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.381624 (E_RNA)
where:
Base-Base interactions energy: -42.685
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.136
local terms energy: -57.560975
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -102.075214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.075214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.075214 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -44.354
Base-Backbone interact. energy: 0.412
local terms energy: -58.133451
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -96.199972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.199972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.199972 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.723
local terms energy: -63.377348
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -5.751
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -84.035938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035938 (E_RNA)
where:
Base-Base interactions energy: -29.293
where: short stacking energy: -27.650
Base-Backbone interact. energy: 0.283
local terms energy: -55.026048
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -6.693
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: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -234.859833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.859833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.859833 (E_RNA)
where:
Base-Base interactions energy: -145.630
where: short stacking energy: -84.945
Base-Backbone interact. energy: -0.004
local terms energy: -89.225335
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -238.550493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.550493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.550493 (E_RNA)
where:
Base-Base interactions energy: -155.632
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.365
local terms energy: -82.553446
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -19.980
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: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -244.396658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.396658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.396658 (E_RNA)
where:
Base-Base interactions energy: -167.945
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.422
local terms energy: -76.029613
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -215.176438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.176438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.176438 (E_RNA)
where:
Base-Base interactions energy: -139.591
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.586
local terms energy: -74.999599
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -20.064
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: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -170.758579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.758579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.758579 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.055
local terms energy: -64.908767
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -161.127984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.127984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.127984 (E_RNA)
where:
Base-Base interactions energy: -99.955
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.534
local terms energy: -60.639189
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -8.730
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -119.771328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.771328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.771328 (E_RNA)
where:
Base-Base interactions energy: -66.339
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.072
local terms energy: -53.360135
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -80.191310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.191310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.191310 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.262
local terms energy: -51.892971
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: 4.112
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: 244
Temperature: 1.300000
Total energy: -82.909923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.909923 (E_RNA)
where:
Base-Base interactions energy: -27.179
where: short stacking energy: -26.301
Base-Backbone interact. energy: -0.201
local terms energy: -55.530015
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -1.594
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: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -83.101871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101871 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.159
local terms energy: -53.741729
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: 2.156
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: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -228.292508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.292508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.292508 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.073
local terms energy: -86.134555
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -237.623392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.623392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.623392 (E_RNA)
where:
Base-Base interactions energy: -161.660
where: short stacking energy: -73.366
Base-Backbone interact. energy: -0.277
local terms energy: -75.686248
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -227.638340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.638340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.638340 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.340
local terms energy: -73.813540
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -13.238
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -204.011582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.011582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.011582 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.006
local terms energy: -80.064251
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -175.218965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.218965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.218965 (E_RNA)
where:
Base-Base interactions energy: -102.625
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.287
local terms energy: -72.307061
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -196.334439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.334439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.334439 (E_RNA)
where:
Base-Base interactions energy: -122.435
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.405
local terms energy: -73.494040
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.166
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -95.168018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.168018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.168018 (E_RNA)
where:
Base-Base interactions energy: -39.672
where: short stacking energy: -32.088
Base-Backbone interact. energy: -0.185
local terms energy: -55.311375
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -99.599326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.599326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.599326 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -43.927
Base-Backbone interact. energy: 1.320
local terms energy: -54.276513
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -90.435724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.435724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.435724 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.086
local terms energy: -51.115851
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -6.031
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -101.002703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.002703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.002703 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.019
local terms energy: -59.013640
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -231.539574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.539574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.539574 (E_RNA)
where:
Base-Base interactions energy: -144.969
where: short stacking energy: -80.062
Base-Backbone interact. energy: -0.255
local terms energy: -86.316127
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -243.820992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.820992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.820992 (E_RNA)
where:
Base-Base interactions energy: -167.508
where: short stacking energy: -73.637
Base-Backbone interact. energy: 0.061
local terms energy: -76.373182
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -220.330683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.330683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.330683 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.293
local terms energy: -72.834978
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.726
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -210.694951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.694951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.694951 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.366
local terms energy: -71.914893
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -19.408
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: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -199.395362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.395362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.395362 (E_RNA)
where:
Base-Base interactions energy: -124.416
where: short stacking energy: -65.139
Base-Backbone interact. energy: 0.353
local terms energy: -75.331644
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -170.992409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.992409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.992409 (E_RNA)
where:
Base-Base interactions energy: -99.314
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.269
local terms energy: -71.409059
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.192
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: 246
Temperature: 1.200000
Total energy: -111.569823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.569823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.569823 (E_RNA)
where:
Base-Base interactions energy: -50.232
where: short stacking energy: -42.664
Base-Backbone interact. energy: -0.692
local terms energy: -60.645925
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.752
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: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -104.813810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.813810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.813810 (E_RNA)
where:
Base-Base interactions energy: -46.076
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.105
local terms energy: -58.632897
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -91.659208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659208 (E_RNA)
where:
Base-Base interactions energy: -35.815
where: short stacking energy: -34.586
Base-Backbone interact. energy: -0.086
local terms energy: -55.758442
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -82.232616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232616 (E_RNA)
where:
Base-Base interactions energy: -34.909
where: short stacking energy: -34.909
Base-Backbone interact. energy: -0.133
local terms energy: -47.191185
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 2.029
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: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -227.508100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.508100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.508100 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -74.096
Base-Backbone interact. energy: -0.105
local terms energy: -84.183283
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -240.867392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.867392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.867392 (E_RNA)
where:
Base-Base interactions energy: -163.108
where: short stacking energy: -74.882
Base-Backbone interact. energy: -1.766
local terms energy: -75.992836
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -10.289
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: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -227.344198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.344198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.344198 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.107
local terms energy: -87.146547
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -200.024356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.024356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.024356 (E_RNA)
where:
Base-Base interactions energy: -131.350
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.105
local terms energy: -68.569799
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -10.174
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: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -207.219756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.219756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.219756 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.645
local terms energy: -71.678076
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -164.146699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.146699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.146699 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.099
local terms energy: -63.906472
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -93.789803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.789803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.789803 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.156
local terms energy: -54.760974
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.765529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765529 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -39.012
Base-Backbone interact. energy: -0.009
local terms energy: -51.483460
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.291145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.291145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.291145 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.093
local terms energy: -52.044059
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -0.959
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: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -83.973104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.973104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.973104 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -30.922
Base-Backbone interact. energy: -0.394
local terms energy: -47.576128
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.288
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: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -248.215013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.215013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.215013 (E_RNA)
where:
Base-Base interactions energy: -174.286
where: short stacking energy: -81.304
Base-Backbone interact. energy: 1.430
local terms energy: -75.358629
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -230.782074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.782074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.782074 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -77.187
Base-Backbone interact. energy: -0.665
local terms energy: -87.909444
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -222.670581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.670581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.670581 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -78.621
Base-Backbone interact. energy: 0.634
local terms energy: -86.597615
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -24.682
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: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -195.745741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.745741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.745741 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -64.418
Base-Backbone interact. energy: -0.139
local terms energy: -69.541752
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -13.989
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: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -215.776486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.776486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776486 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.393
local terms energy: -77.304856
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -163.553390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.553390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.553390 (E_RNA)
where:
Base-Base interactions energy: -98.430
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.297
local terms energy: -64.825945
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -95.364704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.364704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.364704 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -35.790
Base-Backbone interact. energy: -1.048
local terms energy: -57.473149
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -11.805
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: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -96.131335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.131335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.131335 (E_RNA)
where:
Base-Base interactions energy: -40.059
where: short stacking energy: -34.284
Base-Backbone interact. energy: -0.883
local terms energy: -55.189456
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -12.211
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: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -82.895748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.895748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.895748 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -32.367
Base-Backbone interact. energy: 1.679
local terms energy: -48.675180
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.414
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -82.012676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012676 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -25.728
Base-Backbone interact. energy: -0.324
local terms energy: -52.087007
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -250.535443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.535443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.535443 (E_RNA)
where:
Base-Base interactions energy: -162.385
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.419
local terms energy: -87.731492
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -242.890697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890697 (E_RNA)
where:
Base-Base interactions energy: -152.927
where: short stacking energy: -84.672
Base-Backbone interact. energy: -1.336
local terms energy: -88.627898
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -223.769645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.769645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.769645 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.358
local terms energy: -79.942694
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -224.989460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.989460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.989460 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -83.167
Base-Backbone interact. energy: -0.116
local terms energy: -82.638877
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -211.728918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.728918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728918 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.043
local terms energy: -71.352251
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -19.573
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -149.792290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.792290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.792290 (E_RNA)
where:
Base-Base interactions energy: -89.375
where: short stacking energy: -40.631
Base-Backbone interact. energy: -0.467
local terms energy: -59.950818
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.542
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: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -96.520087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.520087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.520087 (E_RNA)
where:
Base-Base interactions energy: -45.391
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.105
local terms energy: -51.023863
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -98.217072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.217072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.217072 (E_RNA)
where:
Base-Base interactions energy: -44.242
where: short stacking energy: -29.693
Base-Backbone interact. energy: -0.103
local terms energy: -53.871364
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -4.575
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: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -84.538563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.538563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.538563 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.259
local terms energy: -47.929333
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -4.682
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: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -87.923263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923263 (E_RNA)
where:
Base-Base interactions energy: -36.245
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.184
local terms energy: -51.493919
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -257.764994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.764994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.764994 (E_RNA)
where:
Base-Base interactions energy: -179.806
where: short stacking energy: -83.643
Base-Backbone interact. energy: -0.556
local terms energy: -77.403029
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -232.018561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.018561 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.686
local terms energy: -82.357044
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -23.371
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: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -208.142743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.142743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.142743 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.005
local terms energy: -84.737549
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -13.391
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: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -203.968304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968304 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.005
local terms energy: -76.707054
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -204.243083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.243083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.243083 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.535
local terms energy: -71.121488
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -112.352158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.352158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.352158 (E_RNA)
where:
Base-Base interactions energy: -49.200
where: short stacking energy: -44.152
Base-Backbone interact. energy: 0.489
local terms energy: -63.640977
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -6.988
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: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -119.053744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.053744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.053744 (E_RNA)
where:
Base-Base interactions energy: -63.466
where: short stacking energy: -35.037
Base-Backbone interact. energy: -0.129
local terms energy: -55.458457
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -97.416819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.416819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.416819 (E_RNA)
where:
Base-Base interactions energy: -51.184
where: short stacking energy: -39.621
Base-Backbone interact. energy: -0.160
local terms energy: -46.072227
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -104.780368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.780368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.780368 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -38.852
Base-Backbone interact. energy: 0.416
local terms energy: -65.286145
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -105.481645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.481645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.481645 (E_RNA)
where:
Base-Base interactions energy: -49.412
where: short stacking energy: -24.667
Base-Backbone interact. energy: -0.197
local terms energy: -55.872388
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -254.138230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.138230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.138230 (E_RNA)
where:
Base-Base interactions energy: -170.971
where: short stacking energy: -81.344
Base-Backbone interact. energy: -0.199
local terms energy: -82.968322
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -220.359362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.359362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.359362 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -78.457
Base-Backbone interact. energy: 2.478
local terms energy: -83.710447
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -217.676554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.676554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.676554 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.008
local terms energy: -79.792139
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -204.313496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.313496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313496 (E_RNA)
where:
Base-Base interactions energy: -130.227
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.583
local terms energy: -73.503351
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -187.327633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.327633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.327633 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.084
local terms energy: -73.057871
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -15.137
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: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -116.749264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.749264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.749264 (E_RNA)
where:
Base-Base interactions energy: -67.985
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.554
local terms energy: -48.210209
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: 2.627
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: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -100.727225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.727225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.727225 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.409
local terms energy: -57.310856
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -8.031
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: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -99.262852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.262852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.262852 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -32.122
Base-Backbone interact. energy: 0.340
local terms energy: -67.480627
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -95.355192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.355192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.355192 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -39.677
Base-Backbone interact. energy: -0.368
local terms energy: -55.309931
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -0.596
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -86.167288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.167288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.167288 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -26.199
Base-Backbone interact. energy: -0.112
local terms energy: -57.271456
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -7.964
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: 252
Temperature: 0.900000
Total energy: -213.765006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.765006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.765006 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.582
local terms energy: -85.320024
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -18.399
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: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -255.738646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.738646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.738646 (E_RNA)
where:
Base-Base interactions energy: -175.677
where: short stacking energy: -77.785
Base-Backbone interact. energy: 0.390
local terms energy: -80.451630
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -19.634
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: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -231.580853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.580853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580853 (E_RNA)
where:
Base-Base interactions energy: -144.428
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.360
local terms energy: -86.792823
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -21.059
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -204.881048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.881048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881048 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.938
local terms energy: -77.289636
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -203.825432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.825432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.825432 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.121
local terms energy: -70.132216
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -17.905
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: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -109.103075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.103075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.103075 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.435
local terms energy: -64.330113
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -9.195
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: 252
Temperature: 1.200000
Total energy: -110.175578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.175578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.175578 (E_RNA)
where:
Base-Base interactions energy: -51.910
where: short stacking energy: -37.060
Base-Backbone interact. energy: -0.747
local terms energy: -57.518056
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -106.032288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.032288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.032288 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.334
local terms energy: -59.556773
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -93.803871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.803871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.803871 (E_RNA)
where:
Base-Base interactions energy: -43.349
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.230
local terms energy: -50.224674
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: 0.449
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: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -87.211082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.211082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.211082 (E_RNA)
where:
Base-Base interactions energy: -28.959
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.336
local terms energy: -57.916030
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -225.292883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.292883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.292883 (E_RNA)
where:
Base-Base interactions energy: -142.033
where: short stacking energy: -83.009
Base-Backbone interact. energy: -0.875
local terms energy: -82.384796
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -254.166119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.166119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.166119 (E_RNA)
where:
Base-Base interactions energy: -177.597
where: short stacking energy: -73.618
Base-Backbone interact. energy: 1.855
local terms energy: -78.424045
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -214.310412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.310412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.310412 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.359
local terms energy: -84.847258
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -202.818930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.818930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.818930 (E_RNA)
where:
Base-Base interactions energy: -136.115
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.004
local terms energy: -66.700236
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -192.288664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.288664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.288664 (E_RNA)
where:
Base-Base interactions energy: -122.457
where: short stacking energy: -66.798
Base-Backbone interact. energy: -0.995
local terms energy: -68.836497
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -117.289572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.289572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.289572 (E_RNA)
where:
Base-Base interactions energy: -50.702
where: short stacking energy: -51.057
Base-Backbone interact. energy: 0.878
local terms energy: -67.466028
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -97.611815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.611815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.611815 (E_RNA)
where:
Base-Base interactions energy: -45.363
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.006
local terms energy: -52.242819
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -92.072654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072654 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -30.703
Base-Backbone interact. energy: 1.146
local terms energy: -54.655002
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -90.698729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698729 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.209
local terms energy: -54.078963
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -9.565
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: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -92.843184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843184 (E_RNA)
where:
Base-Base interactions energy: -41.154
where: short stacking energy: -31.078
Base-Backbone interact. energy: 0.108
local terms energy: -51.797260
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -3.526
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -250.450206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.450206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.450206 (E_RNA)
where:
Base-Base interactions energy: -163.723
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.269
local terms energy: -86.458025
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -223.409334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409334 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.645
local terms energy: -85.262189
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -24.099
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: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -207.335362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.335362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.335362 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.045
local terms energy: -75.166008
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -207.221478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221478 (E_RNA)
where:
Base-Base interactions energy: -122.815
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.182
local terms energy: -84.225046
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -205.631606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.631606 (E_RNA)
where:
Base-Base interactions energy: -131.268
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.066
local terms energy: -74.297891
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.534
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: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -122.233236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.233236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.233236 (E_RNA)
where:
Base-Base interactions energy: -50.193
where: short stacking energy: -47.587
Base-Backbone interact. energy: -1.634
local terms energy: -70.405499
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -107.333571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.333571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.333571 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.059
local terms energy: -67.092114
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -8.386
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: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -90.914032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914032 (E_RNA)
where:
Base-Base interactions energy: -39.128
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.576
local terms energy: -51.209626
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -1.128
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: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -96.143040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.143040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.143040 (E_RNA)
where:
Base-Base interactions energy: -45.807
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.314
local terms energy: -50.021080
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -7.063
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: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -86.874953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874953 (E_RNA)
where:
Base-Base interactions energy: -26.105
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.202
local terms energy: -60.567486
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -0.559
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: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -254.341583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.341583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.341583 (E_RNA)
where:
Base-Base interactions energy: -169.415
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.411
local terms energy: -84.516390
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -226.502141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502141 (E_RNA)
where:
Base-Base interactions energy: -144.245
where: short stacking energy: -83.860
Base-Backbone interact. energy: -0.048
local terms energy: -82.209055
where:
bonds (distance) C4'-P energy: -7.268
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -25.634
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -207.351794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.351794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.351794 (E_RNA)
where:
Base-Base interactions energy: -126.158
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.102
local terms energy: -81.092396
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.807
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: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -211.640681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.640681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.640681 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.019
local terms energy: -78.666343
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.193
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -200.151994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.151994 (E_RNA)
where:
Base-Base interactions energy: -120.919
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.006
local terms energy: -79.227750
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -137.427241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.427241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.427241 (E_RNA)
where:
Base-Base interactions energy: -75.680
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.050
local terms energy: -61.698094
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -103.218710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.218710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.218710 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.038
local terms energy: -65.638755
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -12.491
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: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -99.522202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.522202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.522202 (E_RNA)
where:
Base-Base interactions energy: -41.618
where: short stacking energy: -30.757
Base-Backbone interact. energy: 0.775
local terms energy: -58.678942
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: 1.044
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: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -97.287404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.287404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.287404 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.467
local terms energy: -60.603601
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -5.413
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: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -81.288934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.288934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.288934 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -31.034
Base-Backbone interact. energy: 1.274
local terms energy: -50.334605
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -248.003983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.003983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.003983 (E_RNA)
where:
Base-Base interactions energy: -167.384
where: short stacking energy: -67.897
Base-Backbone interact. energy: 0.073
local terms energy: -80.693041
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -232.937185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.937185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937185 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -79.581
Base-Backbone interact. energy: -0.585
local terms energy: -88.880911
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.447
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: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -215.630354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.630354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.630354 (E_RNA)
where:
Base-Base interactions energy: -136.640
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.112
local terms energy: -78.878887
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.589
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -208.068274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.068274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.068274 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -66.055
Base-Backbone interact. energy: -1.129
local terms energy: -72.501901
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.348
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: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -191.561632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.561632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.561632 (E_RNA)
where:
Base-Base interactions energy: -127.161
where: short stacking energy: -56.514
Base-Backbone interact. energy: -0.344
local terms energy: -64.056851
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -10.636
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: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -123.280565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.280565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.280565 (E_RNA)
where:
Base-Base interactions energy: -64.660
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.624
local terms energy: -57.996915
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -118.048807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.048807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.048807 (E_RNA)
where:
Base-Base interactions energy: -65.149
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.121
local terms energy: -52.779072
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -104.677242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.677242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.677242 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -42.745
Base-Backbone interact. energy: -0.004
local terms energy: -60.715284
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -9.562
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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -97.632450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632450 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.139
local terms energy: -65.582534
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -9.029
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: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -83.686377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.686377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.686377 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.312
local terms energy: -47.796789
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -249.701569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.701569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.701569 (E_RNA)
where:
Base-Base interactions energy: -172.093
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.634
local terms energy: -76.975121
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -218.369022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.369022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.369022 (E_RNA)
where:
Base-Base interactions energy: -136.530
where: short stacking energy: -76.832
Base-Backbone interact. energy: 0.442
local terms energy: -82.280789
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -222.583835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.583835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.583835 (E_RNA)
where:
Base-Base interactions energy: -136.218
where: short stacking energy: -76.028
Base-Backbone interact. energy: -0.054
local terms energy: -86.311049
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -26.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -213.349338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.349338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.349338 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.172
local terms energy: -67.215739
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -189.707916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.707916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.707916 (E_RNA)
where:
Base-Base interactions energy: -123.855
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.242
local terms energy: -65.611101
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.626
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: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -169.038834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.038834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.038834 (E_RNA)
where:
Base-Base interactions energy: -99.814
where: short stacking energy: -52.663
Base-Backbone interact. energy: -0.681
local terms energy: -68.543869
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -13.059
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: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -103.081487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.081487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.081487 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.940
local terms energy: -60.503988
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -99.370287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.370287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.370287 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.610
local terms energy: -60.040888
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -10.812
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: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -90.006894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.006894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.006894 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -27.572
Base-Backbone interact. energy: -0.016
local terms energy: -57.772715
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -88.813940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813940 (E_RNA)
where:
Base-Base interactions energy: -34.154
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.078
local terms energy: -54.582220
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -214.467286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.467286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.467286 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.041
local terms energy: -76.703976
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -13.201
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -239.932003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.932003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.932003 (E_RNA)
where:
Base-Base interactions energy: -166.278
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.304
local terms energy: -73.350549
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.779
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -222.034241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.034241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.034241 (E_RNA)
where:
Base-Base interactions energy: -158.257
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.574
local terms energy: -63.202639
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -197.114127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.114127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.114127 (E_RNA)
where:
Base-Base interactions energy: -124.832
where: short stacking energy: -57.035
Base-Backbone interact. energy: -1.050
local terms energy: -71.232196
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -185.672509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.672509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.672509 (E_RNA)
where:
Base-Base interactions energy: -111.174
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.016
local terms energy: -74.483019
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -13.598
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: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -193.124862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.124862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.124862 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.248
local terms energy: -66.745195
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.618
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: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -112.632595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.632595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.632595 (E_RNA)
where:
Base-Base interactions energy: -48.218
where: short stacking energy: -47.945
Base-Backbone interact. energy: -0.002
local terms energy: -64.412164
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -91.809171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.809171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.809171 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.043
local terms energy: -56.232061
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -94.529360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529360 (E_RNA)
where:
Base-Base interactions energy: -41.195
where: short stacking energy: -20.696
Base-Backbone interact. energy: -0.749
local terms energy: -52.585068
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -10.787
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: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -99.485190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.485190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.485190 (E_RNA)
where:
Base-Base interactions energy: -46.730
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.109
local terms energy: -52.645249
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -2.141
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -216.766516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.766516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.766516 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -67.793
Base-Backbone interact. energy: -0.018
local terms energy: -79.877815
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -18.025
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -240.611072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.611072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.611072 (E_RNA)
where:
Base-Base interactions energy: -163.932
where: short stacking energy: -76.405
Base-Backbone interact. energy: -1.059
local terms energy: -75.620302
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -233.269650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.269650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.269650 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -56.810
Base-Backbone interact. energy: -2.302
local terms energy: -76.203925
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -13.839
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -199.756848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.756848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.756848 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.771
local terms energy: -73.685961
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -15.478
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: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -196.960559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960559 (E_RNA)
where:
Base-Base interactions energy: -125.262
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.145
local terms energy: -71.553251
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -19.335
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: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -104.646555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.646555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.646555 (E_RNA)
where:
Base-Base interactions energy: -53.126
where: short stacking energy: -45.671
Base-Backbone interact. energy: -0.076
local terms energy: -51.444075
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -5.192
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: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -185.511907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.511907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.511907 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -56.240
Base-Backbone interact. energy: -1.674
local terms energy: -70.675976
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -3.965
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -99.063517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.063517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.063517 (E_RNA)
where:
Base-Base interactions energy: -33.744
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.133
local terms energy: -65.186558
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -92.385570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385570 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -40.503
Base-Backbone interact. energy: -0.122
local terms energy: -50.608553
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -93.806156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.806156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.806156 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.113
local terms energy: -50.135861
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -249.074846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.074846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.074846 (E_RNA)
where:
Base-Base interactions energy: -174.956
where: short stacking energy: -70.328
Base-Backbone interact. energy: -0.248
local terms energy: -73.870976
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -235.527195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.527195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.527195 (E_RNA)
where:
Base-Base interactions energy: -154.974
where: short stacking energy: -86.199
Base-Backbone interact. energy: -1.368
local terms energy: -79.185110
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -186.526175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526175 (E_RNA)
where:
Base-Base interactions energy: -111.937
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.153
local terms energy: -74.436180
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -233.301166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.301166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.301166 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.303
local terms energy: -75.189035
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -188.491662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.491662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.491662 (E_RNA)
where:
Base-Base interactions energy: -115.217
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.009
local terms energy: -73.266054
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -18.057
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: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -105.594601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.594601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.594601 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -44.873
Base-Backbone interact. energy: 0.032
local terms energy: -60.753886
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -7.441
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: 260
Temperature: 1.200000
Total energy: -185.040864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.040864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.040864 (E_RNA)
where:
Base-Base interactions energy: -118.480
where: short stacking energy: -60.986
Base-Backbone interact. energy: 0.029
local terms energy: -66.589949
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -14.706
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -92.691091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691091 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -25.471
Base-Backbone interact. energy: -0.327
local terms energy: -53.265095
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -2.806
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: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -85.200855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.200855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.200855 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.076
local terms energy: -57.551381
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.885
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -93.876371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.876371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.876371 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -31.500
Base-Backbone interact. energy: -1.519
local terms energy: -53.173428
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -1.338
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: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -253.977844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.977844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.977844 (E_RNA)
where:
Base-Base interactions energy: -177.273
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.198
local terms energy: -76.507128
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -209.343223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.343223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.343223 (E_RNA)
where:
Base-Base interactions energy: -137.790
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.688
local terms energy: -70.865162
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.635
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: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -232.414264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414264 (E_RNA)
where:
Base-Base interactions energy: -147.387
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.414
local terms energy: -84.613399
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -220.503632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.503632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.503632 (E_RNA)
where:
Base-Base interactions energy: -156.690
where: short stacking energy: -57.216
Base-Backbone interact. energy: -0.122
local terms energy: -63.691712
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -197.188614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.188614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.188614 (E_RNA)
where:
Base-Base interactions energy: -126.817
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.021
local terms energy: -70.350747
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -194.559587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.559587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.559587 (E_RNA)
where:
Base-Base interactions energy: -120.400
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.116
local terms energy: -74.043993
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -87.536009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536009 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -22.029
Base-Backbone interact. energy: 0.089
local terms energy: -62.722441
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -88.879927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.879927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.879927 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -33.549
Base-Backbone interact. energy: 0.449
local terms energy: -53.627269
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -7.635
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: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -91.214143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214143 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -32.809
Base-Backbone interact. energy: 0.722
local terms energy: -58.731576
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -5.253
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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -82.915439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.915439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.915439 (E_RNA)
where:
Base-Base interactions energy: -45.549
where: short stacking energy: -30.788
Base-Backbone interact. energy: -1.244
local terms energy: -36.122115
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: 1.330
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -256.779340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.779340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.779340 (E_RNA)
where:
Base-Base interactions energy: -176.023
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.111
local terms energy: -80.645392
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -225.421702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421702 (E_RNA)
where:
Base-Base interactions energy: -144.380
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.351
local terms energy: -80.690918
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -13.898
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -239.730016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.730016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.730016 (E_RNA)
where:
Base-Base interactions energy: -168.374
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.297
local terms energy: -71.059372
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.034
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: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -203.659395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.659395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.659395 (E_RNA)
where:
Base-Base interactions energy: -127.730
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.080
local terms energy: -75.849110
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -204.091776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.091776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.091776 (E_RNA)
where:
Base-Base interactions energy: -133.566
where: short stacking energy: -68.449
Base-Backbone interact. energy: 1.441
local terms energy: -71.966642
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -182.165107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.165107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.165107 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.117
local terms energy: -75.938692
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -109.862235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.862235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.862235 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -45.094
Base-Backbone interact. energy: -0.054
local terms energy: -63.164955
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -87.700740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700740 (E_RNA)
where:
Base-Base interactions energy: -40.173
where: short stacking energy: -35.411
Base-Backbone interact. energy: 0.750
local terms energy: -48.277411
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -6.448
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: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -80.843303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.843303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.843303 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -20.764
Base-Backbone interact. energy: 0.027
local terms energy: -49.961901
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: 0.442
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -99.157395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157395 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.273
local terms energy: -52.246538
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -252.992745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.992745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.992745 (E_RNA)
where:
Base-Base interactions energy: -168.967
where: short stacking energy: -78.895
Base-Backbone interact. energy: -0.817
local terms energy: -83.208754
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -224.159506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.159506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.159506 (E_RNA)
where:
Base-Base interactions energy: -156.447
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.116
local terms energy: -67.596429
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -223.924550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.924550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.924550 (E_RNA)
where:
Base-Base interactions energy: -139.778
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.353
local terms energy: -83.793624
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -17.646
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: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -212.724437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.724437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.724437 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.085
local terms energy: -78.999027
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -200.577380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577380 (E_RNA)
where:
Base-Base interactions energy: -128.758
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.123
local terms energy: -71.696007
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -184.683515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.683515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.683515 (E_RNA)
where:
Base-Base interactions energy: -116.742
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.122
local terms energy: -67.819728
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -103.602339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.602339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.602339 (E_RNA)
where:
Base-Base interactions energy: -48.634
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.158
local terms energy: -54.810422
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -9.876
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -99.342761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.342761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.342761 (E_RNA)
where:
Base-Base interactions energy: -39.392
where: short stacking energy: -30.541
Base-Backbone interact. energy: -1.252
local terms energy: -58.698467
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -95.427574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427574 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.471
local terms energy: -58.348897
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -84.299896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299896 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.162
local terms energy: -51.337779
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -246.762017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.762017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.762017 (E_RNA)
where:
Base-Base interactions energy: -169.742
where: short stacking energy: -75.515
Base-Backbone interact. energy: -1.582
local terms energy: -75.438180
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -237.565214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.565214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.565214 (E_RNA)
where:
Base-Base interactions energy: -168.534
where: short stacking energy: -68.455
Base-Backbone interact. energy: -1.091
local terms energy: -67.939665
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -10.505
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: 264
Temperature: 1.000000
Total energy: -214.034125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.034125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034125 (E_RNA)
where:
Base-Base interactions energy: -134.481
where: short stacking energy: -74.397
Base-Backbone interact. energy: -0.777
local terms energy: -78.775930
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -209.901447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.901447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.901447 (E_RNA)
where:
Base-Base interactions energy: -130.035
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.707
local terms energy: -79.159864
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -19.995
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -202.506781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506781 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -64.913
Base-Backbone interact. energy: -1.252
local terms energy: -75.810531
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -177.052188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.052188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.052188 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.304
local terms energy: -64.443166
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -102.416821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.416821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.416821 (E_RNA)
where:
Base-Base interactions energy: -40.321
where: short stacking energy: -39.941
Base-Backbone interact. energy: -0.033
local terms energy: -62.062951
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -89.967552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.967552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.967552 (E_RNA)
where:
Base-Base interactions energy: -40.446
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.151
local terms energy: -49.370189
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -6.071
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: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -92.481490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.481490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.481490 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.478
local terms energy: -55.908035
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -80.490674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.490674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.490674 (E_RNA)
where:
Base-Base interactions energy: -29.367
where: short stacking energy: -20.300
Base-Backbone interact. energy: 0.390
local terms energy: -51.514468
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: 0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -249.519997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.519997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.519997 (E_RNA)
where:
Base-Base interactions energy: -169.803
where: short stacking energy: -72.541
Base-Backbone interact. energy: 0.304
local terms energy: -80.021246
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -16.797
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: 265
Temperature: 0.950000
Total energy: -222.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361335 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.845
local terms energy: -77.872980
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -222.244057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.244057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.244057 (E_RNA)
where:
Base-Base interactions energy: -155.173
where: short stacking energy: -61.617
Base-Backbone interact. energy: 0.176
local terms energy: -67.247235
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -207.284882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.284882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.284882 (E_RNA)
where:
Base-Base interactions energy: -130.687
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.081
local terms energy: -76.517220
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -206.004309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.004309 (E_RNA)
where:
Base-Base interactions energy: -130.775
where: short stacking energy: -69.983
Base-Backbone interact. energy: 0.166
local terms energy: -75.395533
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -178.143773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.143773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.143773 (E_RNA)
where:
Base-Base interactions energy: -114.241
where: short stacking energy: -47.819
Base-Backbone interact. energy: -0.144
local terms energy: -63.758585
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -10.341
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -106.943784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.943784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.943784 (E_RNA)
where:
Base-Base interactions energy: -55.366
where: short stacking energy: -41.687
Base-Backbone interact. energy: 1.004
local terms energy: -52.581074
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -134.969805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.969805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.969805 (E_RNA)
where:
Base-Base interactions energy: -76.768
where: short stacking energy: -37.720
Base-Backbone interact. energy: 0.909
local terms energy: -59.111153
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -9.416
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: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -76.974531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.974531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.974531 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.284
local terms energy: -43.111568
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: 1.490
tors. eta vs tors. theta energy: 0.177
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: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -99.252041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.252041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.252041 (E_RNA)
where:
Base-Base interactions energy: -46.483
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.210
local terms energy: -52.559060
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.765
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -252.728363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.728363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.728363 (E_RNA)
where:
Base-Base interactions energy: -171.831
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.341
local terms energy: -80.555668
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -16.085
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: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -220.083433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.083433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.083433 (E_RNA)
where:
Base-Base interactions energy: -136.578
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.000
local terms energy: -83.505026
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -208.708341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.708341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.708341 (E_RNA)
where:
Base-Base interactions energy: -132.692
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.081
local terms energy: -75.935356
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.252
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: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -225.197003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.197003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.197003 (E_RNA)
where:
Base-Base interactions energy: -165.117
where: short stacking energy: -56.718
Base-Backbone interact. energy: -1.512
local terms energy: -58.567980
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -9.952
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -191.705278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.705278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.705278 (E_RNA)
where:
Base-Base interactions energy: -117.261
where: short stacking energy: -71.030
Base-Backbone interact. energy: -0.026
local terms energy: -74.417509
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.222
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -191.053472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.053472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.053472 (E_RNA)
where:
Base-Base interactions energy: -120.320
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.355
local terms energy: -70.378389
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -117.143148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.143148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.143148 (E_RNA)
where:
Base-Base interactions energy: -56.655
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.085
local terms energy: -60.402561
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: 2.713
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -100.935538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.935538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.935538 (E_RNA)
where:
Base-Base interactions energy: -51.006
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.066
local terms energy: -49.863342
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -93.727478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.727478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.727478 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.083
local terms energy: -60.703184
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -11.790
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: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -82.963435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.963435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.963435 (E_RNA)
where:
Base-Base interactions energy: -22.187
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.516
local terms energy: -60.261106
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -244.395161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.395161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.395161 (E_RNA)
where:
Base-Base interactions energy: -166.315
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.151
local terms energy: -77.928842
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -232.664697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.664697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.664697 (E_RNA)
where:
Base-Base interactions energy: -151.179
where: short stacking energy: -84.230
Base-Backbone interact. energy: -0.013
local terms energy: -81.473409
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -207.721327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.721327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.721327 (E_RNA)
where:
Base-Base interactions energy: -130.498
where: short stacking energy: -68.151
Base-Backbone interact. energy: -0.390
local terms energy: -76.833593
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -226.770621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.770621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.770621 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.594
local terms energy: -73.078317
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -16.963
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -197.536233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.536233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.536233 (E_RNA)
where:
Base-Base interactions energy: -131.104
where: short stacking energy: -61.172
Base-Backbone interact. energy: -0.243
local terms energy: -66.189679
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -14.126
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: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -192.422709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.422709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.422709 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.263
local terms energy: -68.995892
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -106.402089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.402089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.402089 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -38.186
Base-Backbone interact. energy: -1.057
local terms energy: -59.937121
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -96.965309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.965309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.965309 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -38.718
Base-Backbone interact. energy: -0.011
local terms energy: -53.928188
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -8.474
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: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -80.339778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.339778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.339778 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.167
local terms energy: -50.131706
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: 0.253
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: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -80.953525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953525 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.032
local terms energy: -47.932097
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -250.091378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091378 (E_RNA)
where:
Base-Base interactions energy: -172.853
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.229
local terms energy: -77.009471
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -236.636474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.636474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.636474 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -86.241
Base-Backbone interact. energy: -1.599
local terms energy: -90.222441
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -232.840087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.840087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.840087 (E_RNA)
where:
Base-Base interactions energy: -157.609
where: short stacking energy: -67.378
Base-Backbone interact. energy: -1.496
local terms energy: -73.734546
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -219.769785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.769785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.769785 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.533
local terms energy: -82.352957
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -24.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -197.548390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.548390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548390 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.788
local terms energy: -66.535813
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -178.399329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.399329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.399329 (E_RNA)
where:
Base-Base interactions energy: -108.422
where: short stacking energy: -45.277
Base-Backbone interact. energy: -0.304
local terms energy: -69.674072
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -12.435
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: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -99.870413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.870413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.870413 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -42.616
Base-Backbone interact. energy: 2.445
local terms energy: -59.269107
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -9.239
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: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -96.128011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128011 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -34.498
Base-Backbone interact. energy: -0.578
local terms energy: -58.642061
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -94.478394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.478394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.478394 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -35.897
Base-Backbone interact. energy: -1.013
local terms energy: -50.567613
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -8.414
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -82.320521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.320521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.320521 (E_RNA)
where:
Base-Base interactions energy: -26.067
where: short stacking energy: -24.028
Base-Backbone interact. energy: -0.228
local terms energy: -56.025412
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -12.362
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -253.536988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.536988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.536988 (E_RNA)
where:
Base-Base interactions energy: -182.980
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.244
local terms energy: -70.312759
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -15.552
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -238.525277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.525277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.525277 (E_RNA)
where:
Base-Base interactions energy: -166.860
where: short stacking energy: -73.145
Base-Backbone interact. energy: -1.155
local terms energy: -70.510149
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -13.334
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: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -226.354883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354883 (E_RNA)
where:
Base-Base interactions energy: -148.133
where: short stacking energy: -84.281
Base-Backbone interact. energy: -0.493
local terms energy: -77.728563
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -23.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -206.224096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224096 (E_RNA)
where:
Base-Base interactions energy: -131.192
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.436
local terms energy: -74.595745
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -186.626520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.626520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.626520 (E_RNA)
where:
Base-Base interactions energy: -117.241
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.291
local terms energy: -69.094685
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -183.989460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.989460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.989460 (E_RNA)
where:
Base-Base interactions energy: -117.697
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.193
local terms energy: -66.099532
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -5.297
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: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -98.358820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.358820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.358820 (E_RNA)
where:
Base-Base interactions energy: -41.932
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.077
local terms energy: -56.350454
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -103.121731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.121731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.121731 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -32.710
Base-Backbone interact. energy: 0.262
local terms energy: -54.590080
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -92.283674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.283674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.283674 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -29.979
Base-Backbone interact. energy: 0.161
local terms energy: -59.427403
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.123499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.123499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.123499 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -33.991
Base-Backbone interact. energy: 0.091
local terms energy: -54.965673
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: 0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -239.679339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.679339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.679339 (E_RNA)
where:
Base-Base interactions energy: -166.121
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.481
local terms energy: -73.077876
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -240.392242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.392242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.392242 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -74.246
Base-Backbone interact. energy: -0.336
local terms energy: -80.182268
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -221.303939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.303939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.303939 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -81.988
Base-Backbone interact. energy: -0.063
local terms energy: -80.193569
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -213.729540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.729540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.729540 (E_RNA)
where:
Base-Base interactions energy: -131.837
where: short stacking energy: -72.525
Base-Backbone interact. energy: -0.015
local terms energy: -81.877201
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -9.536
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: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -178.838428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838428 (E_RNA)
where:
Base-Base interactions energy: -108.893
where: short stacking energy: -59.144
Base-Backbone interact. energy: -0.051
local terms energy: -69.894492
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -12.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -181.241012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.241012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.241012 (E_RNA)
where:
Base-Base interactions energy: -111.671
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.010
local terms energy: -69.560040
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.683
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: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -140.100711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.100711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.100711 (E_RNA)
where:
Base-Base interactions energy: -82.649
where: short stacking energy: -41.268
Base-Backbone interact. energy: 0.398
local terms energy: -57.849972
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -0.480
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -95.817793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817793 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.182
local terms energy: -46.402595
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -6.805
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: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -106.790129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.790129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.790129 (E_RNA)
where:
Base-Base interactions energy: -50.394
where: short stacking energy: -38.526
Base-Backbone interact. energy: 0.029
local terms energy: -56.424941
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -80.899832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.899832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.899832 (E_RNA)
where:
Base-Base interactions energy: -26.514
where: short stacking energy: -26.514
Base-Backbone interact. energy: -0.124
local terms energy: -54.262621
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -240.065951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.065951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.065951 (E_RNA)
where:
Base-Base interactions energy: -163.373
where: short stacking energy: -68.950
Base-Backbone interact. energy: -0.776
local terms energy: -75.917128
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -241.658219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.658219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.658219 (E_RNA)
where:
Base-Base interactions energy: -162.754
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.528
local terms energy: -78.376188
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -21.432
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -208.261803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.261803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.261803 (E_RNA)
where:
Base-Base interactions energy: -133.416
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.091
local terms energy: -74.754236
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -195.967183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967183 (E_RNA)
where:
Base-Base interactions energy: -124.973
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.160
local terms energy: -70.834995
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -211.477249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.477249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.477249 (E_RNA)
where:
Base-Base interactions energy: -135.400
where: short stacking energy: -75.294
Base-Backbone interact. energy: -0.108
local terms energy: -75.969107
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -7.755
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: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -189.983043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.983043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.983043 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.626
local terms energy: -63.552011
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -13.289
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: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -160.908540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.908540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.908540 (E_RNA)
where:
Base-Base interactions energy: -97.306
where: short stacking energy: -46.479
Base-Backbone interact. energy: -0.174
local terms energy: -63.428673
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -93.267729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267729 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -33.986
Base-Backbone interact. energy: -0.060
local terms energy: -59.221825
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.368
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -95.290288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.290288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.290288 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.479
local terms energy: -51.120198
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -5.230
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -100.172143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.172143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.172143 (E_RNA)
where:
Base-Base interactions energy: -41.275
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.168
local terms energy: -58.729720
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -6.477
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: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -246.508836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.508836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.508836 (E_RNA)
where:
Base-Base interactions energy: -168.458
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.659
local terms energy: -77.391984
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -237.221041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.221041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.221041 (E_RNA)
where:
Base-Base interactions energy: -167.448
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.818
local terms energy: -68.955689
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -15.683
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: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -201.513871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.513871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.513871 (E_RNA)
where:
Base-Base interactions energy: -121.732
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.122
local terms energy: -79.659664
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -15.138
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: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -195.623512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.623512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.623512 (E_RNA)
where:
Base-Base interactions energy: -125.313
where: short stacking energy: -66.646
Base-Backbone interact. energy: -0.163
local terms energy: -70.147459
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -14.360
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: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -198.830341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.830341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.830341 (E_RNA)
where:
Base-Base interactions energy: -115.327
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.605
local terms energy: -82.897968
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -191.547302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.547302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.547302 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.306
local terms energy: -69.271050
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -117.371622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.371622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.371622 (E_RNA)
where:
Base-Base interactions energy: -59.004
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.057
local terms energy: -58.309792
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: 0.513
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: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -123.991447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.991447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.991447 (E_RNA)
where:
Base-Base interactions energy: -69.649
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.016
local terms energy: -54.326569
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -96.806297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.806297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.806297 (E_RNA)
where:
Base-Base interactions energy: -43.556
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.107
local terms energy: -53.143229
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -76.905338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.905338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.905338 (E_RNA)
where:
Base-Base interactions energy: -26.254
where: short stacking energy: -24.092
Base-Backbone interact. energy: 0.977
local terms energy: -51.627405
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -13.228
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: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -247.775979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.775979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.775979 (E_RNA)
where:
Base-Base interactions energy: -164.972
where: short stacking energy: -79.846
Base-Backbone interact. energy: -1.935
local terms energy: -80.868987
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -230.095745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.095745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095745 (E_RNA)
where:
Base-Base interactions energy: -160.728
where: short stacking energy: -63.970
Base-Backbone interact. energy: -0.202
local terms energy: -69.165179
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -190.941245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.941245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.941245 (E_RNA)
where:
Base-Base interactions energy: -119.209
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.145
local terms energy: -71.587655
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.105
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: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -200.577348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577348 (E_RNA)
where:
Base-Base interactions energy: -128.446
where: short stacking energy: -70.474
Base-Backbone interact. energy: -0.373
local terms energy: -71.758266
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -18.592
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -201.796961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.796961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.796961 (E_RNA)
where:
Base-Base interactions energy: -126.703
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.538
local terms energy: -74.555592
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -20.696
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: 273
Temperature: 1.150000
Total energy: -180.931436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.931436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.931436 (E_RNA)
where:
Base-Base interactions energy: -118.993
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.753
local terms energy: -61.184556
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -11.338
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: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -162.777291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.777291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.777291 (E_RNA)
where:
Base-Base interactions energy: -95.331
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.071
local terms energy: -67.375401
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -12.210
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: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -147.784377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.784377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.784377 (E_RNA)
where:
Base-Base interactions energy: -83.642
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.000
local terms energy: -64.142246
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -91.720624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.720624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.720624 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.527
local terms energy: -48.238082
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.552
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: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -87.777595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777595 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -27.151
Base-Backbone interact. energy: -0.324
local terms energy: -54.137830
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -247.819610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.819610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.819610 (E_RNA)
where:
Base-Base interactions energy: -167.881
where: short stacking energy: -78.525
Base-Backbone interact. energy: -1.083
local terms energy: -78.855249
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -234.189405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.189405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.189405 (E_RNA)
where:
Base-Base interactions energy: -155.451
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.418
local terms energy: -78.320723
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -14.810
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: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -212.728350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.728350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.728350 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.595
local terms energy: -79.445855
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -21.626
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -200.299400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.299400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.299400 (E_RNA)
where:
Base-Base interactions energy: -119.188
where: short stacking energy: -56.744
Base-Backbone interact. energy: -0.098
local terms energy: -81.013739
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -15.262
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: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -201.597381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.597381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.597381 (E_RNA)
where:
Base-Base interactions energy: -126.082
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.844
local terms energy: -74.671351
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -170.515871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.515871 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -51.475
Base-Backbone interact. energy: -1.152
local terms energy: -58.710712
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -0.174
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -160.600410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.600410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.600410 (E_RNA)
where:
Base-Base interactions energy: -88.777
where: short stacking energy: -47.635
Base-Backbone interact. energy: 1.676
local terms energy: -73.500086
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -11.887
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: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -142.593892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.593892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.593892 (E_RNA)
where:
Base-Base interactions energy: -82.282
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.213
local terms energy: -60.098826
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.435243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.435243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.435243 (E_RNA)
where:
Base-Base interactions energy: -34.946
where: short stacking energy: -29.760
Base-Backbone interact. energy: 0.891
local terms energy: -45.380046
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: 3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -87.998556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998556 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -36.997
Base-Backbone interact. energy: -0.422
local terms energy: -49.613612
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: 4.296
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: 275
Temperature: 0.900000
Total energy: -248.384415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.384415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.384415 (E_RNA)
where:
Base-Base interactions energy: -172.824
where: short stacking energy: -76.655
Base-Backbone interact. energy: -0.337
local terms energy: -75.222706
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -236.764748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.764748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.764748 (E_RNA)
where:
Base-Base interactions energy: -158.689
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.543
local terms energy: -77.532736
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -185.310980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.310980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.310980 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -55.938
Base-Backbone interact. energy: 0.207
local terms energy: -71.411746
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -193.363589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.363589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.363589 (E_RNA)
where:
Base-Base interactions energy: -123.307
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.175
local terms energy: -69.881220
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -190.636762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.636762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.636762 (E_RNA)
where:
Base-Base interactions energy: -115.417
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.001
local terms energy: -75.218292
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -17.585
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: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -171.817434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.817434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.817434 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.129
local terms energy: -63.851828
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -11.322
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -148.950292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.950292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.950292 (E_RNA)
where:
Base-Base interactions energy: -83.153
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.244
local terms energy: -65.552906
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -86.425849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425849 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -20.216
Base-Backbone interact. energy: -0.188
local terms energy: -59.893489
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -8.963
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -97.848165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.848165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.848165 (E_RNA)
where:
Base-Base interactions energy: -44.601
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.310
local terms energy: -52.937068
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -96.530848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.530848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.530848 (E_RNA)
where:
Base-Base interactions energy: -30.190
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.015
local terms energy: -66.326705
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -12.773
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -250.768913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.768913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.768913 (E_RNA)
where:
Base-Base interactions energy: -174.544
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.260
local terms energy: -75.965366
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -244.876576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.876576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.876576 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.711
local terms energy: -79.468892
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.957
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: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -187.969813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.969813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.969813 (E_RNA)
where:
Base-Base interactions energy: -114.192
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.270
local terms energy: -73.507640
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -205.056541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.056541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.056541 (E_RNA)
where:
Base-Base interactions energy: -124.272
where: short stacking energy: -71.400
Base-Backbone interact. energy: -0.001
local terms energy: -80.783574
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -21.132
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: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -195.486932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.486932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.486932 (E_RNA)
where:
Base-Base interactions energy: -121.681
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.217
local terms energy: -73.589088
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -11.777
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: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -161.442336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.442336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.442336 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.009
local terms energy: -60.837421
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -3.156
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -98.617037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.617037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.617037 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.094
local terms energy: -63.114559
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -91.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.833808 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.487
local terms energy: -61.975846
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -5.465
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: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -102.028630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.028630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.028630 (E_RNA)
where:
Base-Base interactions energy: -48.351
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.064
local terms energy: -53.613856
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.376743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.376743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.376743 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -29.837
Base-Backbone interact. energy: 0.090
local terms energy: -48.822520
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: 3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -236.988757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.988757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.988757 (E_RNA)
where:
Base-Base interactions energy: -159.601
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.148
local terms energy: -77.239452
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -259.047983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.047983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.047983 (E_RNA)
where:
Base-Base interactions energy: -184.008
where: short stacking energy: -70.194
Base-Backbone interact. energy: 0.131
local terms energy: -75.171403
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -218.662149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.662149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.662149 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.430
local terms energy: -78.441100
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -20.004
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: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -194.773816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.773816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.773816 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -72.583
Base-Backbone interact. energy: 0.242
local terms energy: -76.944885
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -198.806354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.806354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.806354 (E_RNA)
where:
Base-Base interactions energy: -123.472
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.010
local terms energy: -75.323974
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.735
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: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -167.667841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.667841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.667841 (E_RNA)
where:
Base-Base interactions energy: -99.852
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.088
local terms energy: -67.728498
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -110.118722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.118722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.118722 (E_RNA)
where:
Base-Base interactions energy: -50.041
where: short stacking energy: -41.864
Base-Backbone interact. energy: -0.127
local terms energy: -59.950476
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -90.090604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090604 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.226
local terms energy: -48.944178
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.398300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.398300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.398300 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -29.118
Base-Backbone interact. energy: -0.794
local terms energy: -46.650263
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -6.152
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -98.156547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.156547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.156547 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.497
local terms energy: -58.796269
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -252.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.200997 (E_RNA)
where:
Base-Base interactions energy: -169.560
where: short stacking energy: -77.171
Base-Backbone interact. energy: -0.314
local terms energy: -82.326815
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -227.211237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.211237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.211237 (E_RNA)
where:
Base-Base interactions energy: -152.738
where: short stacking energy: -61.339
Base-Backbone interact. energy: 0.113
local terms energy: -74.585917
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -16.090
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -223.498730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.498730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498730 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -71.114
Base-Backbone interact. energy: -1.558
local terms energy: -82.432112
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -190.199410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199410 (E_RNA)
where:
Base-Base interactions energy: -114.021
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.028
local terms energy: -76.150475
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.084
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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -176.835757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.835757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.835757 (E_RNA)
where:
Base-Base interactions energy: -117.423
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.112
local terms energy: -59.300407
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -200.633428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.633428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.633428 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.027
local terms energy: -76.149575
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -14.216
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: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -101.886804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.886804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.886804 (E_RNA)
where:
Base-Base interactions energy: -43.466
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.044
local terms energy: -58.377201
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.822
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: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -93.831694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.831694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.831694 (E_RNA)
where:
Base-Base interactions energy: -36.245
where: short stacking energy: -36.245
Base-Backbone interact. energy: -0.127
local terms energy: -57.459598
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -6.573
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: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -89.243052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.243052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.243052 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -36.577
Base-Backbone interact. energy: 1.249
local terms energy: -51.796924
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -86.324367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324367 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.439
local terms energy: -52.685439
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -5.875
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -254.047975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.047975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.047975 (E_RNA)
where:
Base-Base interactions energy: -178.109
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.598
local terms energy: -75.341373
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -241.938630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.938630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.938630 (E_RNA)
where:
Base-Base interactions energy: -168.739
where: short stacking energy: -75.936
Base-Backbone interact. energy: -2.335
local terms energy: -70.865060
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -227.912941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.912941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.912941 (E_RNA)
where:
Base-Base interactions energy: -143.904
where: short stacking energy: -83.776
Base-Backbone interact. energy: 0.544
local terms energy: -84.553206
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -188.800337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.800337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.800337 (E_RNA)
where:
Base-Base interactions energy: -119.567
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.285
local terms energy: -68.948880
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -9.491
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: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -209.420337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.420337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.420337 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -63.955
Base-Backbone interact. energy: -1.711
local terms energy: -68.568749
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -193.174160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.174160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.174160 (E_RNA)
where:
Base-Base interactions energy: -123.405
where: short stacking energy: -59.648
Base-Backbone interact. energy: 1.329
local terms energy: -71.097585
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -90.423363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.423363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.423363 (E_RNA)
where:
Base-Base interactions energy: -34.725
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.021
local terms energy: -55.677674
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: 0.017
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -115.753673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.753673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.753673 (E_RNA)
where:
Base-Base interactions energy: -48.798
where: short stacking energy: -48.798
Base-Backbone interact. energy: -0.088
local terms energy: -66.867529
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -85.550947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.550947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.550947 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.158
local terms energy: -52.372272
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -78.514133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.514133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.514133 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -25.719
Base-Backbone interact. energy: 0.103
local terms energy: -49.741597
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -2.717
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: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -251.080563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.080563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.080563 (E_RNA)
where:
Base-Base interactions energy: -170.387
where: short stacking energy: -78.971
Base-Backbone interact. energy: -1.287
local terms energy: -79.406173
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -244.926579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.926579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.926579 (E_RNA)
where:
Base-Base interactions energy: -170.188
where: short stacking energy: -82.904
Base-Backbone interact. energy: 1.471
local terms energy: -76.209668
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -12.072
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: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -224.142456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142456 (E_RNA)
where:
Base-Base interactions energy: -151.908
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.658
local terms energy: -71.576617
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -194.787350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.787350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.787350 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.096
local terms energy: -68.380210
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -200.009318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.009318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.009318 (E_RNA)
where:
Base-Base interactions energy: -120.925
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.795
local terms energy: -78.289958
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -167.205988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.205988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.205988 (E_RNA)
where:
Base-Base interactions energy: -92.730
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.026
local terms energy: -74.450285
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -100.587871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.587871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.587871 (E_RNA)
where:
Base-Base interactions energy: -46.162
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.173
local terms energy: -54.253232
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.113
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: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -93.450620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450620 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.117
local terms energy: -56.493475
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.222920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222920 (E_RNA)
where:
Base-Base interactions energy: -46.209
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.239
local terms energy: -38.774966
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: 5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -80.723083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723083 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.302
local terms energy: -46.942733
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -252.927576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.927576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.927576 (E_RNA)
where:
Base-Base interactions energy: -170.769
where: short stacking energy: -74.670
Base-Backbone interact. energy: -1.803
local terms energy: -80.355661
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -225.896744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.896744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.896744 (E_RNA)
where:
Base-Base interactions energy: -151.757
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.647
local terms energy: -73.492003
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -242.255610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.255610 (E_RNA)
where:
Base-Base interactions energy: -164.433
where: short stacking energy: -71.855
Base-Backbone interact. energy: 0.396
local terms energy: -78.218777
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -21.401
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -196.833596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.833596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.833596 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.111
local terms energy: -71.565025
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -204.529784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.529784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529784 (E_RNA)
where:
Base-Base interactions energy: -127.781
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.012
local terms energy: -76.737043
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -166.914258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.914258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.914258 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.094
local terms energy: -63.225972
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -117.298709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.298709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.298709 (E_RNA)
where:
Base-Base interactions energy: -56.906
where: short stacking energy: -56.906
Base-Backbone interact. energy: -0.020
local terms energy: -60.373365
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -13.690
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: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -99.373733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373733 (E_RNA)
where:
Base-Base interactions energy: -40.845
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.112
local terms energy: -58.416060
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -108.502615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.502615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.502615 (E_RNA)
where:
Base-Base interactions energy: -45.431
where: short stacking energy: -45.431
Base-Backbone interact. energy: -0.118
local terms energy: -62.953097
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -76.861419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.861419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.861419 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.157
local terms energy: -45.891279
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -235.114088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.114088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.114088 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.628
local terms energy: -82.258384
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -240.282868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.282868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.282868 (E_RNA)
where:
Base-Base interactions energy: -161.765
where: short stacking energy: -78.033
Base-Backbone interact. energy: 0.226
local terms energy: -78.743201
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -230.534377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.534377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534377 (E_RNA)
where:
Base-Base interactions energy: -151.906
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.439
local terms energy: -78.190196
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -187.410926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.410926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410926 (E_RNA)
where:
Base-Base interactions energy: -113.559
where: short stacking energy: -64.687
Base-Backbone interact. energy: 0.132
local terms energy: -73.984176
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -168.211774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.211774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.211774 (E_RNA)
where:
Base-Base interactions energy: -94.851
where: short stacking energy: -50.366
Base-Backbone interact. energy: -0.124
local terms energy: -73.237000
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -10.584
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -165.238572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.238572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.238572 (E_RNA)
where:
Base-Base interactions energy: -94.747
where: short stacking energy: -47.348
Base-Backbone interact. energy: 0.495
local terms energy: -70.986560
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -11.759
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -109.461821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.461821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.461821 (E_RNA)
where:
Base-Base interactions energy: -41.852
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.107
local terms energy: -67.502588
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -85.978594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.978594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.978594 (E_RNA)
where:
Base-Base interactions energy: -38.490
where: short stacking energy: -31.284
Base-Backbone interact. energy: 1.423
local terms energy: -48.911557
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -96.341761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341761 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.483
local terms energy: -55.365642
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -9.115
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: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -88.002648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002648 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -29.233
Base-Backbone interact. energy: 2.183
local terms energy: -60.952480
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -234.671861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.671861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.671861 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -82.586
Base-Backbone interact. energy: -0.060
local terms energy: -84.824870
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -235.473947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473947 (E_RNA)
where:
Base-Base interactions energy: -158.770
where: short stacking energy: -72.407
Base-Backbone interact. energy: -0.407
local terms energy: -76.297547
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -223.263364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.263364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.263364 (E_RNA)
where:
Base-Base interactions energy: -158.633
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.785
local terms energy: -63.845557
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -176.936343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.936343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.936343 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -55.379
Base-Backbone interact. energy: 0.080
local terms energy: -64.039026
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -8.832
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: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -216.675602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.675602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.675602 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -75.569
Base-Backbone interact. energy: -0.006
local terms energy: -81.363881
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -22.811
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: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -169.117429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.117429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.117429 (E_RNA)
where:
Base-Base interactions energy: -107.928
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.239
local terms energy: -60.951028
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -103.003945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.003945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.003945 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -43.215
Base-Backbone interact. energy: -0.048
local terms energy: -59.740765
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -6.163
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: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -105.502734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.502734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.502734 (E_RNA)
where:
Base-Base interactions energy: -53.536
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.048
local terms energy: -51.918074
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -4.948
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -101.266392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266392 (E_RNA)
where:
Base-Base interactions energy: -39.920
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.076
local terms energy: -61.270820
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -88.724069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.724069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.724069 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -41.148
Base-Backbone interact. energy: -0.252
local terms energy: -47.324247
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -5.746
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.141
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: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -246.385243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.385243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.385243 (E_RNA)
where:
Base-Base interactions energy: -168.269
where: short stacking energy: -71.135
Base-Backbone interact. energy: -0.213
local terms energy: -77.903305
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -235.012780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.012780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.012780 (E_RNA)
where:
Base-Base interactions energy: -149.981
where: short stacking energy: -85.661
Base-Backbone interact. energy: -0.444
local terms energy: -84.587672
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.224
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: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -220.832067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.832067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.832067 (E_RNA)
where:
Base-Base interactions energy: -148.344
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.421
local terms energy: -72.067564
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.800
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: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -182.975199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.975199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.975199 (E_RNA)
where:
Base-Base interactions energy: -111.510
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.301
local terms energy: -71.163854
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -16.096
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: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -189.198675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.198675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.198675 (E_RNA)
where:
Base-Base interactions energy: -115.183
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.787
local terms energy: -73.228814
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -12.157
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: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -217.625644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.625644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.625644 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -75.330
Base-Backbone interact. energy: -0.202
local terms energy: -79.132584
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -87.474142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.474142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.474142 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -36.822
Base-Backbone interact. energy: -0.256
local terms energy: -50.395397
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -87.931744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931744 (E_RNA)
where:
Base-Base interactions energy: -30.007
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.128
local terms energy: -57.796681
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -97.045478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.045478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.045478 (E_RNA)
where:
Base-Base interactions energy: -35.504
where: short stacking energy: -35.585
Base-Backbone interact. energy: 1.235
local terms energy: -62.776613
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -86.028039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028039 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -23.440
Base-Backbone interact. energy: -0.291
local terms energy: -52.529739
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -241.808919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.808919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.808919 (E_RNA)
where:
Base-Base interactions energy: -165.549
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.431
local terms energy: -75.829198
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.902
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -227.149568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.149568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.149568 (E_RNA)
where:
Base-Base interactions energy: -139.724
where: short stacking energy: -78.867
Base-Backbone interact. energy: -1.551
local terms energy: -85.873887
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -222.915257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.915257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.915257 (E_RNA)
where:
Base-Base interactions energy: -148.689
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.400
local terms energy: -73.826741
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -209.246832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.246832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246832 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.183
local terms energy: -65.614519
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -171.124652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.124652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.124652 (E_RNA)
where:
Base-Base interactions energy: -99.998
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.806
local terms energy: -70.321311
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -6.255
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: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -179.464879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.464879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.464879 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -48.572
Base-Backbone interact. energy: 0.503
local terms energy: -60.959569
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -97.619802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619802 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -35.250
Base-Backbone interact. energy: -0.294
local terms energy: -62.076095
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -101.793379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793379 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -30.334
Base-Backbone interact. energy: 0.357
local terms energy: -61.123148
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -84.761431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.761431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.761431 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -43.498
Base-Backbone interact. energy: -0.149
local terms energy: -38.727490
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -3.214
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: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -88.453467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.453467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.453467 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -18.183
Base-Backbone interact. energy: -0.418
local terms energy: -47.237998
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 2.517
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -251.072996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.072996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.072996 (E_RNA)
where:
Base-Base interactions energy: -170.622
where: short stacking energy: -76.231
Base-Backbone interact. energy: -0.669
local terms energy: -79.781391
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -238.110373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.110373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.110373 (E_RNA)
where:
Base-Base interactions energy: -148.984
where: short stacking energy: -84.769
Base-Backbone interact. energy: -0.093
local terms energy: -89.032942
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -22.633
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: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -232.463877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.463877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.463877 (E_RNA)
where:
Base-Base interactions energy: -157.204
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.179
local terms energy: -75.080680
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -13.320
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: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -205.963714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.963714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.963714 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.602
local terms energy: -72.111952
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -14.396
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -197.202567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.202567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.202567 (E_RNA)
where:
Base-Base interactions energy: -122.881
where: short stacking energy: -54.611
Base-Backbone interact. energy: -0.069
local terms energy: -74.252505
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -167.714547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.714547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.714547 (E_RNA)
where:
Base-Base interactions energy: -112.922
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.063
local terms energy: -54.729634
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -10.832
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -109.256720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256720 (E_RNA)
where:
Base-Base interactions energy: -49.564
where: short stacking energy: -49.564
Base-Backbone interact. energy: 0.118
local terms energy: -59.810596
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -92.280412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.280412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.280412 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.217
Base-Backbone interact. energy: -1.920
local terms energy: -53.484528
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: 0.830
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -88.484060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484060 (E_RNA)
where:
Base-Base interactions energy: -36.793
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.859
local terms energy: -50.832172
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -81.702746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.702746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.702746 (E_RNA)
where:
Base-Base interactions energy: -26.064
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.758
local terms energy: -54.880861
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: 3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -246.830513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.830513 (E_RNA)
where:
Base-Base interactions energy: -167.914
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.464
local terms energy: -78.451858
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.361
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -229.554384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.554384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.554384 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -81.508
Base-Backbone interact. energy: -0.691
local terms energy: -83.043586
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -236.304797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.304797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.304797 (E_RNA)
where:
Base-Base interactions energy: -164.235
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.191
local terms energy: -71.879578
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -207.792270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.792270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.792270 (E_RNA)
where:
Base-Base interactions energy: -132.415
where: short stacking energy: -69.636
Base-Backbone interact. energy: -1.128
local terms energy: -74.249008
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.970
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: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -178.760749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.760749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.760749 (E_RNA)
where:
Base-Base interactions energy: -104.827
where: short stacking energy: -61.501
Base-Backbone interact. energy: -0.177
local terms energy: -73.756953
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -188.107287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.107287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.107287 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.055
local terms energy: -74.589536
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -13.688
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: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -105.108370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.108370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.108370 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.032
local terms energy: -63.534508
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -92.924434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924434 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.239
local terms energy: -52.896609
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -88.573914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.573914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.573914 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -25.107
Base-Backbone interact. energy: -1.042
local terms energy: -54.083862
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.349
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: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -84.347964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.347964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.347964 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.170
local terms energy: -48.386034
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -2.717
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -257.748802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.748802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.748802 (E_RNA)
where:
Base-Base interactions energy: -173.505
where: short stacking energy: -77.724
Base-Backbone interact. energy: 0.614
local terms energy: -84.858365
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -222.772830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.772830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.772830 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -78.562
Base-Backbone interact. energy: -0.212
local terms energy: -84.211948
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -227.365583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.365583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.365583 (E_RNA)
where:
Base-Base interactions energy: -153.565
where: short stacking energy: -61.469
Base-Backbone interact. energy: 0.397
local terms energy: -74.197111
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -14.912
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: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -198.433492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.433492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433492 (E_RNA)
where:
Base-Base interactions energy: -126.392
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.334
local terms energy: -71.707357
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -173.088004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.088004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.088004 (E_RNA)
where:
Base-Base interactions energy: -107.174
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.160
local terms energy: -65.753977
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -189.202093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.202093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.202093 (E_RNA)
where:
Base-Base interactions energy: -113.378
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.027
local terms energy: -75.797059
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -17.659
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: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -96.756074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.756074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.756074 (E_RNA)
where:
Base-Base interactions energy: -38.040
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.527
local terms energy: -58.190045
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -93.496747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.496747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.496747 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -35.929
Base-Backbone interact. energy: 0.063
local terms energy: -56.209262
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -83.765565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765565 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -18.380
Base-Backbone interact. energy: -0.153
local terms energy: -49.135233
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 3.721
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: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.869905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.869905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.869905 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.515
local terms energy: -56.238143
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.135
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -253.372590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.372590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.372590 (E_RNA)
where:
Base-Base interactions energy: -172.818
where: short stacking energy: -74.229
Base-Backbone interact. energy: -0.408
local terms energy: -80.146324
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -16.837
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -233.504573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.504573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.504573 (E_RNA)
where:
Base-Base interactions energy: -161.648
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.334
local terms energy: -71.522346
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -15.688
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: 289
Temperature: 1.000000
Total energy: -227.217541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.217541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.217541 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -78.824
Base-Backbone interact. energy: -0.716
local terms energy: -77.262704
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -207.072749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.072749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.072749 (E_RNA)
where:
Base-Base interactions energy: -131.228
where: short stacking energy: -74.164
Base-Backbone interact. energy: -0.012
local terms energy: -75.832912
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -180.420640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.420640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.420640 (E_RNA)
where:
Base-Base interactions energy: -105.500
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.848
local terms energy: -74.072868
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -15.869
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: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -181.583865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.583865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.583865 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -55.384
Base-Backbone interact. energy: -0.125
local terms energy: -64.494242
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -13.929
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -94.822764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.822764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.822764 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.081
local terms energy: -53.542527
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -3.271
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: 289
Temperature: 1.250000
Total energy: -156.147299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.147299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.147299 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -45.959
Base-Backbone interact. energy: -0.414
local terms energy: -66.492393
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -8.106
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: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -93.329013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.329013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.329013 (E_RNA)
where:
Base-Base interactions energy: -50.925
where: short stacking energy: -29.591
Base-Backbone interact. energy: -0.246
local terms energy: -42.158052
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -10.724
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: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -88.325278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.325278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.325278 (E_RNA)
where:
Base-Base interactions energy: -44.100
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.190
local terms energy: -44.034871
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -1.374
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -240.318601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.318601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.318601 (E_RNA)
where:
Base-Base interactions energy: -162.663
where: short stacking energy: -65.734
Base-Backbone interact. energy: 0.209
local terms energy: -77.864049
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -235.419075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.419075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.419075 (E_RNA)
where:
Base-Base interactions energy: -168.203
where: short stacking energy: -67.044
Base-Backbone interact. energy: -1.707
local terms energy: -65.509409
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -11.077
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: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -219.846004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.846004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.846004 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.293
local terms energy: -70.924145
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -187.995837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995837 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -51.613
Base-Backbone interact. energy: 0.086
local terms energy: -71.339119
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -170.338740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338740 (E_RNA)
where:
Base-Base interactions energy: -99.636
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.494
local terms energy: -70.208491
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -195.737646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.737646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.737646 (E_RNA)
where:
Base-Base interactions energy: -124.127
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.123
local terms energy: -71.487098
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -168.617795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.617795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.617795 (E_RNA)
where:
Base-Base interactions energy: -98.881
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.059
local terms energy: -69.678128
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -14.386
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -107.713741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.713741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.713741 (E_RNA)
where:
Base-Base interactions energy: -46.776
where: short stacking energy: -46.776
Base-Backbone interact. energy: 0.459
local terms energy: -61.396279
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -83.150863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150863 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.666
local terms energy: -50.528026
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -81.739388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.739388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.739388 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.285
local terms energy: -49.538689
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.381
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: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -243.141225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.141225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.141225 (E_RNA)
where:
Base-Base interactions energy: -164.923
where: short stacking energy: -66.856
Base-Backbone interact. energy: -0.442
local terms energy: -77.775682
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.561
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: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -244.701754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.701754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.701754 (E_RNA)
where:
Base-Base interactions energy: -168.194
where: short stacking energy: -66.231
Base-Backbone interact. energy: 1.880
local terms energy: -78.387748
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -212.104734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.104734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104734 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.189
local terms energy: -76.699741
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -195.613355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.613355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.613355 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.001
local terms energy: -68.798892
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -198.788244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.788244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.788244 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.417
local terms energy: -68.014551
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.535
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: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -177.924157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.924157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.924157 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -62.085
Base-Backbone interact. energy: 4.116
local terms energy: -69.421881
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.580
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: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -189.286466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.286466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.286466 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -47.212
Base-Backbone interact. energy: 0.069
local terms energy: -68.099877
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -89.874144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.874144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.874144 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.042
local terms energy: -50.337839
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -85.714185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714185 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -23.602
Base-Backbone interact. energy: -0.100
local terms energy: -53.937160
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -91.841811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.841811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.841811 (E_RNA)
where:
Base-Base interactions energy: -42.262
where: short stacking energy: -28.127
Base-Backbone interact. energy: 0.338
local terms energy: -49.918097
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -13.181
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -251.475755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.475755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.475755 (E_RNA)
where:
Base-Base interactions energy: -166.892
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.505
local terms energy: -84.078713
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -232.935619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.935619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.935619 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.348
local terms energy: -73.211009
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -226.217735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217735 (E_RNA)
where:
Base-Base interactions energy: -141.093
where: short stacking energy: -73.469
Base-Backbone interact. energy: -0.092
local terms energy: -85.033109
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -221.229812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.229812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.229812 (E_RNA)
where:
Base-Base interactions energy: -147.676
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.587
local terms energy: -72.967302
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -186.392432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.392432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.392432 (E_RNA)
where:
Base-Base interactions energy: -112.597
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.060
local terms energy: -73.735230
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -171.881959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.881959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.881959 (E_RNA)
where:
Base-Base interactions energy: -113.188
where: short stacking energy: -54.302
Base-Backbone interact. energy: 1.048
local terms energy: -59.742845
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -8.514
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: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -171.726772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.726772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.726772 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.296
local terms energy: -64.725543
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -97.113008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113008 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -32.982
Base-Backbone interact. energy: 0.238
local terms energy: -60.414065
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -100.431722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431722 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.215
local terms energy: -56.005712
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -12.142
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: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -81.934231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934231 (E_RNA)
where:
Base-Base interactions energy: -31.903
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.067
local terms energy: -49.964801
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -251.157514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.157514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.157514 (E_RNA)
where:
Base-Base interactions energy: -171.916
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.431
local terms energy: -78.811166
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -233.913835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.913835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.913835 (E_RNA)
where:
Base-Base interactions energy: -165.912
where: short stacking energy: -69.965
Base-Backbone interact. energy: -0.194
local terms energy: -67.807798
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -216.152845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.152845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.152845 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.049
local terms energy: -81.556591
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -209.228356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.228356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.228356 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.266
local terms energy: -68.736900
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -186.321647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.321647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.321647 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.185
local terms energy: -69.121237
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -195.844862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.844862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.844862 (E_RNA)
where:
Base-Base interactions energy: -129.532
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.026
local terms energy: -66.287275
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -169.386248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.386248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.386248 (E_RNA)
where:
Base-Base interactions energy: -102.637
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.324
local terms energy: -66.425958
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -91.972418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.972418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.972418 (E_RNA)
where:
Base-Base interactions energy: -29.507
where: short stacking energy: -27.457
Base-Backbone interact. energy: -0.182
local terms energy: -62.283077
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.731
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: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -92.869801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.869801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.869801 (E_RNA)
where:
Base-Base interactions energy: -34.430
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.300
local terms energy: -58.139864
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -8.666
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: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -87.090746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.090746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.090746 (E_RNA)
where:
Base-Base interactions energy: -31.762
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.555
local terms energy: -54.774359
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -234.706021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.706021 (E_RNA)
where:
Base-Base interactions energy: -163.889
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.412
local terms energy: -70.405204
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -249.100942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.100942 (E_RNA)
where:
Base-Base interactions energy: -167.867
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.590
local terms energy: -80.643136
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.893
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -210.414406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.414406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.414406 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.172
local terms energy: -73.704553
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.256
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: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -212.196125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.196125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.196125 (E_RNA)
where:
Base-Base interactions energy: -135.585
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.558
local terms energy: -76.052940
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -203.829536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.829536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.829536 (E_RNA)
where:
Base-Base interactions energy: -135.176
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.901
local terms energy: -67.752231
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -184.970506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.970506 (E_RNA)
where:
Base-Base interactions energy: -119.451
where: short stacking energy: -51.774
Base-Backbone interact. energy: 0.226
local terms energy: -65.745701
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -167.321091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.321091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.321091 (E_RNA)
where:
Base-Base interactions energy: -90.978
where: short stacking energy: -46.744
Base-Backbone interact. energy: -0.028
local terms energy: -76.315440
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -11.156
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: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -106.518989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.518989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.518989 (E_RNA)
where:
Base-Base interactions energy: -52.550
where: short stacking energy: -35.233
Base-Backbone interact. energy: 1.118
local terms energy: -55.086759
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -4.023
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: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -95.673825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.673825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.673825 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -21.796
Base-Backbone interact. energy: -0.351
local terms energy: -51.445436
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -86.583709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.583709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.583709 (E_RNA)
where:
Base-Base interactions energy: -52.213
where: short stacking energy: -23.529
Base-Backbone interact. energy: 2.361
local terms energy: -36.731371
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: 3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -240.872159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.872159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.872159 (E_RNA)
where:
Base-Base interactions energy: -163.410
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.890
local terms energy: -78.351893
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -14.204
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: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -255.831875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.831875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.831875 (E_RNA)
where:
Base-Base interactions energy: -174.332
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.304
local terms energy: -81.195818
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.076
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -217.065152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.065152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.065152 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.890
local terms energy: -72.430015
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -206.351957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.351957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.351957 (E_RNA)
where:
Base-Base interactions energy: -130.261
where: short stacking energy: -69.261
Base-Backbone interact. energy: -0.028
local terms energy: -76.062871
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -206.749954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749954 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -76.872
Base-Backbone interact. energy: -0.005
local terms energy: -76.279859
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -177.865931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.865931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.865931 (E_RNA)
where:
Base-Base interactions energy: -106.097
where: short stacking energy: -48.434
Base-Backbone interact. energy: 1.238
local terms energy: -73.006679
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -183.559305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.559305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.559305 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.212
local terms energy: -65.791720
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -110.199028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.199028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.199028 (E_RNA)
where:
Base-Base interactions energy: -54.093
where: short stacking energy: -35.022
Base-Backbone interact. energy: -0.445
local terms energy: -55.661040
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -4.670
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: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -96.458385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.458385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.458385 (E_RNA)
where:
Base-Base interactions energy: -42.224
where: short stacking energy: -36.274
Base-Backbone interact. energy: 1.937
local terms energy: -56.171360
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -96.814997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.814997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.814997 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.150
local terms energy: -51.110751
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -7.612
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -5.840
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: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -262.281420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.281420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.281420 (E_RNA)
where:
Base-Base interactions energy: -179.369
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.054
local terms energy: -82.858313
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -232.283106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.283106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.283106 (E_RNA)
where:
Base-Base interactions energy: -160.939
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.731
local terms energy: -70.612882
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -214.972414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.972414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.972414 (E_RNA)
where:
Base-Base interactions energy: -143.346
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.157
local terms energy: -71.469730
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -218.646425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.646425 (E_RNA)
where:
Base-Base interactions energy: -159.512
where: short stacking energy: -70.153
Base-Backbone interact. energy: 0.281
local terms energy: -59.415287
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -14.487
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: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -202.360139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.360139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.360139 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.166
local terms energy: -75.123841
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -193.837683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.837683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.837683 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.162
local terms energy: -69.538492
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -213.851989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851989 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.182
local terms energy: -77.326499
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -90.075036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.075036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.075036 (E_RNA)
where:
Base-Base interactions energy: -32.461
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.039
local terms energy: -57.575102
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -100.279263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279263 (E_RNA)
where:
Base-Base interactions energy: -47.714
where: short stacking energy: -23.309
Base-Backbone interact. energy: 0.200
local terms energy: -52.764967
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -96.476035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.476035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.476035 (E_RNA)
where:
Base-Base interactions energy: -52.464
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.732
local terms energy: -43.280167
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -1.094
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -249.147219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.147219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.147219 (E_RNA)
where:
Base-Base interactions energy: -161.804
where: short stacking energy: -76.333
Base-Backbone interact. energy: -1.324
local terms energy: -86.018706
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -228.425270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.425270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.425270 (E_RNA)
where:
Base-Base interactions energy: -147.065
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.687
local terms energy: -80.673110
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -14.398
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: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -207.242766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.242766 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.002
local terms energy: -78.575361
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -210.713077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.713077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.713077 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -56.523
Base-Backbone interact. energy: -1.213
local terms energy: -66.719477
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -13.928
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -193.555029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.555029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.555029 (E_RNA)
where:
Base-Base interactions energy: -127.662
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.020
local terms energy: -65.873422
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -15.625
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: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -207.161701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161701 (E_RNA)
where:
Base-Base interactions energy: -147.360
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.038
local terms energy: -59.763779
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -158.056672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.056672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.056672 (E_RNA)
where:
Base-Base interactions energy: -87.875
where: short stacking energy: -47.950
Base-Backbone interact. energy: -0.201
local terms energy: -69.981445
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.549
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: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -91.865529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.865529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.865529 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.048
local terms energy: -54.624319
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -83.477620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477620 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.565
local terms energy: -46.634053
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -98.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776513 (E_RNA)
where:
Base-Base interactions energy: -43.898
where: short stacking energy: -10.287
Base-Backbone interact. energy: -0.843
local terms energy: -54.035333
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: 2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -255.473916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.473916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.473916 (E_RNA)
where:
Base-Base interactions energy: -179.688
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.482
local terms energy: -75.304142
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -15.548
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: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -229.991504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.991504 (E_RNA)
where:
Base-Base interactions energy: -157.574
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.604
local terms energy: -71.813860
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -229.741441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.741441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741441 (E_RNA)
where:
Base-Base interactions energy: -164.295
where: short stacking energy: -59.986
Base-Backbone interact. energy: 0.440
local terms energy: -65.886558
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -13.332
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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -210.794628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.794628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794628 (E_RNA)
where:
Base-Base interactions energy: -137.809
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.402
local terms energy: -72.583934
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -200.811317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.811317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.811317 (E_RNA)
where:
Base-Base interactions energy: -128.930
where: short stacking energy: -57.663
Base-Backbone interact. energy: -0.867
local terms energy: -71.014308
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -183.123947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.123947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.123947 (E_RNA)
where:
Base-Base interactions energy: -119.608
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.100
local terms energy: -63.416196
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -14.259
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: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -110.229770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.229770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.229770 (E_RNA)
where:
Base-Base interactions energy: -49.631
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.001
local terms energy: -60.598041
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -143.128971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.128971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.128971 (E_RNA)
where:
Base-Base interactions energy: -86.702
where: short stacking energy: -37.551
Base-Backbone interact. energy: -0.381
local terms energy: -56.045776
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -85.868147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.868147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.868147 (E_RNA)
where:
Base-Base interactions energy: -24.744
where: short stacking energy: -22.183
Base-Backbone interact. energy: -0.024
local terms energy: -61.099963
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -92.712865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.712865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.712865 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.194
local terms energy: -57.342939
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -1.175
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -251.102711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.102711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.102711 (E_RNA)
where:
Base-Base interactions energy: -171.550
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.274
local terms energy: -79.278821
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -238.305724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.305724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.305724 (E_RNA)
where:
Base-Base interactions energy: -167.725
where: short stacking energy: -50.566
Base-Backbone interact. energy: -0.255
local terms energy: -70.326137
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -11.678
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: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -232.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.203621 (E_RNA)
where:
Base-Base interactions energy: -158.406
where: short stacking energy: -68.447
Base-Backbone interact. energy: -0.712
local terms energy: -73.085085
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -14.300
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: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -206.689690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.689690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.689690 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -58.463
Base-Backbone interact. energy: 0.117
local terms energy: -75.155206
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -200.185903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.185903 (E_RNA)
where:
Base-Base interactions energy: -125.523
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.452
local terms energy: -74.211175
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -181.907802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.907802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.907802 (E_RNA)
where:
Base-Base interactions energy: -108.937
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.131
local terms energy: -72.840543
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.419
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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -120.708175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.708175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.708175 (E_RNA)
where:
Base-Base interactions energy: -59.631
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.868
local terms energy: -60.208960
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -7.957
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: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -98.009311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.009311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.009311 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -30.143
Base-Backbone interact. energy: -1.001
local terms energy: -55.294348
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -3.746
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: 299
Temperature: 1.300000
Total energy: -150.039176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.039176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.039176 (E_RNA)
where:
Base-Base interactions energy: -93.806
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.187
local terms energy: -56.046539
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -10.901
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: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -84.344458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.344458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.344458 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.263
local terms energy: -49.813056
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -2.895
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: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -254.877776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.877776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.877776 (E_RNA)
where:
Base-Base interactions energy: -172.946
where: short stacking energy: -70.335
Base-Backbone interact. energy: -0.088
local terms energy: -81.843631
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -245.093290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.093290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.093290 (E_RNA)
where:
Base-Base interactions energy: -162.545
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.416
local terms energy: -82.132297
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -228.421330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.421330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.421330 (E_RNA)
where:
Base-Base interactions energy: -156.417
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.553
local terms energy: -71.452292
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.532
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: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -196.097787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.097787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.097787 (E_RNA)
where:
Base-Base interactions energy: -125.410
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.983
local terms energy: -69.705086
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -205.831517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.831517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.831517 (E_RNA)
where:
Base-Base interactions energy: -135.631
where: short stacking energy: -71.911
Base-Backbone interact. energy: -1.474
local terms energy: -68.726516
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -17.551
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: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -182.469066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.469066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.469066 (E_RNA)
where:
Base-Base interactions energy: -109.440
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.013
local terms energy: -73.016374
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -18.270
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -119.658846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.658846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.658846 (E_RNA)
where:
Base-Base interactions energy: -55.256
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.125
local terms energy: -64.278143
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -11.536
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: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -114.339585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.339585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.339585 (E_RNA)
where:
Base-Base interactions energy: -50.793
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.007
local terms energy: -63.539599
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -9.361
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: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -144.336158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.336158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.336158 (E_RNA)
where:
Base-Base interactions energy: -92.740
where: short stacking energy: -45.849
Base-Backbone interact. energy: -0.579
local terms energy: -51.017301
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -78.996390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.996390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.996390 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.223
local terms energy: -51.083899
where:
bonds (distance) C4'-P energy: -7.434
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -256.698065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.698065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.698065 (E_RNA)
where:
Base-Base interactions energy: -171.082
where: short stacking energy: -75.281
Base-Backbone interact. energy: -0.228
local terms energy: -85.387695
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -21.122
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: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -232.388448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.388448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.388448 (E_RNA)
where:
Base-Base interactions energy: -159.343
where: short stacking energy: -57.981
Base-Backbone interact. energy: 0.553
local terms energy: -73.598413
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -227.650106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.650106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.650106 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.430
local terms energy: -73.798048
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -207.625519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625519 (E_RNA)
where:
Base-Base interactions energy: -137.573
where: short stacking energy: -60.846
Base-Backbone interact. energy: -1.131
local terms energy: -68.922055
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -216.200646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.200646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.200646 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -75.677
Base-Backbone interact. energy: -0.016
local terms energy: -79.554778
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -158.593686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.593686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.593686 (E_RNA)
where:
Base-Base interactions energy: -88.276
where: short stacking energy: -50.064
Base-Backbone interact. energy: -0.199
local terms energy: -70.119005
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -104.678745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.678745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.678745 (E_RNA)
where:
Base-Base interactions energy: -49.131
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.383
local terms energy: -55.164730
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -1.619
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: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -161.401735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.401735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.401735 (E_RNA)
where:
Base-Base interactions energy: -98.589
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.021
local terms energy: -62.791597
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -94.531385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531385 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.161
local terms energy: -49.776232
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.223
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: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -87.787767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.787767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.787767 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.955
local terms energy: -50.032089
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -0.740
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -254.585850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.585850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.585850 (E_RNA)
where:
Base-Base interactions energy: -185.327
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.625
local terms energy: -68.633682
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -15.309
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: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -249.266159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.266159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.266159 (E_RNA)
where:
Base-Base interactions energy: -166.368
where: short stacking energy: -77.891
Base-Backbone interact. energy: -0.533
local terms energy: -82.365001
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -8.053
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: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -216.939129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939129 (E_RNA)
where:
Base-Base interactions energy: -143.063
where: short stacking energy: -67.169
Base-Backbone interact. energy: 0.921
local terms energy: -74.797014
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -234.560881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.560881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.560881 (E_RNA)
where:
Base-Base interactions energy: -161.739
where: short stacking energy: -64.090
Base-Backbone interact. energy: 0.589
local terms energy: -73.410706
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -14.693
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -216.504110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.504110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.504110 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.144
local terms energy: -73.797001
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -20.530
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: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -150.506510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.506510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.506510 (E_RNA)
where:
Base-Base interactions energy: -85.934
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.085
local terms energy: -64.487798
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -12.810
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: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -154.389182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.389182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.389182 (E_RNA)
where:
Base-Base interactions energy: -104.234
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.165
local terms energy: -49.990610
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -8.456
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: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -95.416002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.416002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.416002 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.070
local terms energy: -59.497674
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -8.877
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: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -95.278315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278315 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -31.708
Base-Backbone interact. energy: -1.184
local terms energy: -50.905155
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -3.253
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: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -95.530840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.530840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.530840 (E_RNA)
where:
Base-Base interactions energy: -57.076
where: short stacking energy: -30.699
Base-Backbone interact. energy: 0.865
local terms energy: -39.320485
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -2.804
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: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -254.156842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.156842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.156842 (E_RNA)
where:
Base-Base interactions energy: -181.000
where: short stacking energy: -58.852
Base-Backbone interact. energy: -1.264
local terms energy: -71.893137
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -247.750434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.750434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.750434 (E_RNA)
where:
Base-Base interactions energy: -162.996
where: short stacking energy: -79.443
Base-Backbone interact. energy: -0.342
local terms energy: -84.412903
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -19.214
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -244.103365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.103365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.103365 (E_RNA)
where:
Base-Base interactions energy: -161.408
where: short stacking energy: -82.686
Base-Backbone interact. energy: -0.001
local terms energy: -82.694689
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -207.902159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.902159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.902159 (E_RNA)
where:
Base-Base interactions energy: -126.459
where: short stacking energy: -70.614
Base-Backbone interact. energy: -0.021
local terms energy: -81.422148
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -228.648584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.648584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.648584 (E_RNA)
where:
Base-Base interactions energy: -160.008
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.291
local terms energy: -68.350414
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -14.362
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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -165.934431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.934431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.934431 (E_RNA)
where:
Base-Base interactions energy: -98.484
where: short stacking energy: -58.798
Base-Backbone interact. energy: 0.834
local terms energy: -68.285197
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -11.168
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: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -147.406874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.406874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.406874 (E_RNA)
where:
Base-Base interactions energy: -84.480
where: short stacking energy: -49.509
Base-Backbone interact. energy: 1.450
local terms energy: -64.376900
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -11.587
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -92.245244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.245244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.245244 (E_RNA)
where:
Base-Base interactions energy: -30.002
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.173
local terms energy: -62.070118
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -106.548939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548939 (E_RNA)
where:
Base-Base interactions energy: -55.615
where: short stacking energy: -32.781
Base-Backbone interact. energy: 0.260
local terms energy: -51.193636
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -1.648
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: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -80.590893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.590893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.590893 (E_RNA)
where:
Base-Base interactions energy: -30.288
where: short stacking energy: -19.125
Base-Backbone interact. energy: 0.601
local terms energy: -50.903621
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: 1.785
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: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -253.811590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.811590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.811590 (E_RNA)
where:
Base-Base interactions energy: -168.942
where: short stacking energy: -83.422
Base-Backbone interact. energy: -1.044
local terms energy: -83.826532
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -12.146
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: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -244.147734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.147734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.147734 (E_RNA)
where:
Base-Base interactions energy: -164.812
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.321
local terms energy: -79.014392
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -219.346946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.346946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.346946 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.188
local terms energy: -81.296724
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -218.581394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.581394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.581394 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.009
local terms energy: -71.168904
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -187.700977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.700977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.700977 (E_RNA)
where:
Base-Base interactions energy: -116.639
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.557
local terms energy: -70.504689
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -220.627825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627825 (E_RNA)
where:
Base-Base interactions energy: -153.990
where: short stacking energy: -68.609
Base-Backbone interact. energy: 0.071
local terms energy: -66.708205
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -91.549069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549069 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.209
local terms energy: -53.217435
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -5.853
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -115.565655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.565655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.565655 (E_RNA)
where:
Base-Base interactions energy: -62.949
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.150
local terms energy: -52.466515
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -114.208042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.208042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.208042 (E_RNA)
where:
Base-Base interactions energy: -64.335
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.349
local terms energy: -49.524179
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -86.985325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.985325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.985325 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.507
local terms energy: -55.946920
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -251.564204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.564204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.564204 (E_RNA)
where:
Base-Base interactions energy: -171.287
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.691
local terms energy: -79.586392
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -13.120
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -235.365343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.365343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.365343 (E_RNA)
where:
Base-Base interactions energy: -147.747
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.440
local terms energy: -87.178778
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -237.929180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.929180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.929180 (E_RNA)
where:
Base-Base interactions energy: -157.421
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.580
local terms energy: -79.928123
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -15.073
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: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -220.883453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.883453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.883453 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.082
local terms energy: -73.734541
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -14.949
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: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -194.137390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.137390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.137390 (E_RNA)
where:
Base-Base interactions energy: -135.644
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.094
local terms energy: -58.398493
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -204.245164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.245164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.245164 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.179
local terms energy: -67.517608
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -99.009064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009064 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -36.325
Base-Backbone interact. energy: 0.192
local terms energy: -62.305905
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -115.098529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.098529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.098529 (E_RNA)
where:
Base-Base interactions energy: -56.951
where: short stacking energy: -36.413
Base-Backbone interact. energy: 5.911
local terms energy: -64.058341
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -8.212
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: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -94.068060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.068060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.068060 (E_RNA)
where:
Base-Base interactions energy: -48.715
where: short stacking energy: -45.566
Base-Backbone interact. energy: -0.086
local terms energy: -45.267213
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -91.183889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.183889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.183889 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -37.706
Base-Backbone interact. energy: 0.496
local terms energy: -53.973616
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -3.939
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -248.232634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.232634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.232634 (E_RNA)
where:
Base-Base interactions energy: -162.843
where: short stacking energy: -80.692
Base-Backbone interact. energy: -0.669
local terms energy: -84.720353
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -228.984082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.984082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.984082 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -84.029
Base-Backbone interact. energy: -0.060
local terms energy: -87.310501
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -237.693874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.693874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.693874 (E_RNA)
where:
Base-Base interactions energy: -168.088
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.500
local terms energy: -69.105515
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -8.834
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: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -216.035713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.035713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.035713 (E_RNA)
where:
Base-Base interactions energy: -134.811
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.638
local terms energy: -80.586531
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -15.917
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: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -196.266072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.266072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.266072 (E_RNA)
where:
Base-Base interactions energy: -129.958
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.504
local terms energy: -65.803979
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -8.319
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: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -211.571256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.571256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.571256 (E_RNA)
where:
Base-Base interactions energy: -135.902
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.402
local terms energy: -75.266827
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -16.627
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: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -103.492611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.492611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.492611 (E_RNA)
where:
Base-Base interactions energy: -43.684
where: short stacking energy: -28.804
Base-Backbone interact. energy: -1.112
local terms energy: -58.696981
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -96.082910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.082910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.082910 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -33.557
Base-Backbone interact. energy: -0.009
local terms energy: -62.517143
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.765
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: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -89.984819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.984819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.984819 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -26.422
Base-Backbone interact. energy: 0.040
local terms energy: -61.801659
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -81.429570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429570 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -24.232
Base-Backbone interact. energy: -0.562
local terms energy: -37.929429
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -1.116
flat angles P-C4'-P energy: -6.364
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: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -249.964317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.964317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.964317 (E_RNA)
where:
Base-Base interactions energy: -165.816
where: short stacking energy: -76.468
Base-Backbone interact. energy: -0.712
local terms energy: -83.436303
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.297
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -232.192555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192555 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -83.927
Base-Backbone interact. energy: 0.128
local terms energy: -88.777086
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.845
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: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -241.327825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.327825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.327825 (E_RNA)
where:
Base-Base interactions energy: -167.045
where: short stacking energy: -68.193
Base-Backbone interact. energy: 2.760
local terms energy: -77.042927
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -215.182218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182218 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.623
local terms energy: -78.196751
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -189.258352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.258352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.258352 (E_RNA)
where:
Base-Base interactions energy: -115.501
where: short stacking energy: -68.689
Base-Backbone interact. energy: -1.341
local terms energy: -72.416502
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -229.489756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.489756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.489756 (E_RNA)
where:
Base-Base interactions energy: -156.702
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.750
local terms energy: -72.037345
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -9.395
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: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -151.549006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.549006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.549006 (E_RNA)
where:
Base-Base interactions energy: -92.785
where: short stacking energy: -49.915
Base-Backbone interact. energy: -0.879
local terms energy: -57.885213
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -104.070658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.070658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.070658 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -39.378
Base-Backbone interact. energy: 0.057
local terms energy: -64.749838
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -11.371
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: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -88.058590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.058590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.058590 (E_RNA)
where:
Base-Base interactions energy: -50.433
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.143
local terms energy: -37.482158
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -4.617
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -8.775
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: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -95.998780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.998780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.998780 (E_RNA)
where:
Base-Base interactions energy: -43.188
where: short stacking energy: -23.584
Base-Backbone interact. energy: -0.729
local terms energy: -52.082056
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: 2.189
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -246.757167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.757167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.757167 (E_RNA)
where:
Base-Base interactions energy: -162.287
where: short stacking energy: -77.404
Base-Backbone interact. energy: -0.903
local terms energy: -83.567239
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -216.926527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.926527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.926527 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -75.493
Base-Backbone interact. energy: -0.960
local terms energy: -72.855096
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -22.496
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: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -244.119150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.119150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.119150 (E_RNA)
where:
Base-Base interactions energy: -164.234
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.706
local terms energy: -79.179910
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -198.962585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.962585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.962585 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.656
local terms energy: -78.039889
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -20.652
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: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -222.958509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.958509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.958509 (E_RNA)
where:
Base-Base interactions energy: -155.099
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.611
local terms energy: -67.248836
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -195.394519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.394519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.394519 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.025
local terms energy: -72.140316
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -164.680077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.680077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.680077 (E_RNA)
where:
Base-Base interactions energy: -95.245
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.077
local terms energy: -69.358462
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -127.388977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.388977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.388977 (E_RNA)
where:
Base-Base interactions energy: -70.955
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.323
local terms energy: -56.110609
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -7.543
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: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -84.825156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.825156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.825156 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -19.271
Base-Backbone interact. energy: -1.358
local terms energy: -48.283068
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: 5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -87.725499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725499 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -28.191
Base-Backbone interact. energy: 2.335
local terms energy: -51.666618
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -254.447389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.447389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.447389 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -76.016
Base-Backbone interact. energy: -0.939
local terms energy: -83.633911
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -237.945058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.945058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.945058 (E_RNA)
where:
Base-Base interactions energy: -160.647
where: short stacking energy: -72.739
Base-Backbone interact. energy: -0.228
local terms energy: -77.070037
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -209.019141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.019141 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.065
local terms energy: -76.830248
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -233.058334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.058334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.058334 (E_RNA)
where:
Base-Base interactions energy: -156.542
where: short stacking energy: -76.056
Base-Backbone interact. energy: -1.726
local terms energy: -74.790145
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -17.993
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: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -205.760788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.760788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.760788 (E_RNA)
where:
Base-Base interactions energy: -129.932
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.456
local terms energy: -75.373484
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -187.489940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.489940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.489940 (E_RNA)
where:
Base-Base interactions energy: -118.369
where: short stacking energy: -49.777
Base-Backbone interact. energy: -1.500
local terms energy: -67.620312
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -12.530
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: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -122.987977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.987977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.987977 (E_RNA)
where:
Base-Base interactions energy: -67.311
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.756
local terms energy: -54.920294
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -10.215
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: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -121.074770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.074770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.074770 (E_RNA)
where:
Base-Base interactions energy: -69.958
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.406
local terms energy: -50.710918
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -7.799
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: 309
Temperature: 1.300000
Total energy: -96.633383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633383 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.035
local terms energy: -50.384049
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -4.329
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: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -92.008954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008954 (E_RNA)
where:
Base-Base interactions energy: -38.192
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.126
local terms energy: -53.690749
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -247.922927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.922927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.922927 (E_RNA)
where:
Base-Base interactions energy: -163.913
where: short stacking energy: -74.761
Base-Backbone interact. energy: -0.757
local terms energy: -83.252148
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -238.998905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.998905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.998905 (E_RNA)
where:
Base-Base interactions energy: -165.711
where: short stacking energy: -72.544
Base-Backbone interact. energy: 3.385
local terms energy: -76.673647
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.672
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: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -246.004297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.004297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.004297 (E_RNA)
where:
Base-Base interactions energy: -165.648
where: short stacking energy: -75.723
Base-Backbone interact. energy: -1.023
local terms energy: -79.333352
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -206.868257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.868257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.868257 (E_RNA)
where:
Base-Base interactions energy: -133.629
where: short stacking energy: -70.762
Base-Backbone interact. energy: 0.417
local terms energy: -73.656442
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -222.611155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.611155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.611155 (E_RNA)
where:
Base-Base interactions energy: -142.580
where: short stacking energy: -80.163
Base-Backbone interact. energy: -0.654
local terms energy: -79.377741
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -198.817501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.817501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.817501 (E_RNA)
where:
Base-Base interactions energy: -123.478
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.227
local terms energy: -75.112439
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -126.602843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.602843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.602843 (E_RNA)
where:
Base-Base interactions energy: -79.784
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.804
local terms energy: -46.015540
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -87.201574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.201574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.201574 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.231
local terms energy: -53.536502
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -92.746081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746081 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -34.760
Base-Backbone interact. energy: 0.238
local terms energy: -48.824871
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -88.898015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898015 (E_RNA)
where:
Base-Base interactions energy: -42.578
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.255
local terms energy: -46.065745
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -249.456343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.456343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.456343 (E_RNA)
where:
Base-Base interactions energy: -169.459
where: short stacking energy: -72.943
Base-Backbone interact. energy: -0.865
local terms energy: -79.131994
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -20.276
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: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -243.637179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.637179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.637179 (E_RNA)
where:
Base-Base interactions energy: -163.736
where: short stacking energy: -72.613
Base-Backbone interact. energy: -1.573
local terms energy: -78.327646
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -229.365807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.365807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365807 (E_RNA)
where:
Base-Base interactions energy: -153.378
where: short stacking energy: -68.899
Base-Backbone interact. energy: 0.127
local terms energy: -76.114270
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -207.376873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.376873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.376873 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -67.434
Base-Backbone interact. energy: -1.192
local terms energy: -80.484092
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -197.090559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.090559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.090559 (E_RNA)
where:
Base-Base interactions energy: -131.060
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.411
local terms energy: -65.619489
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -171.383382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.383382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.383382 (E_RNA)
where:
Base-Base interactions energy: -102.838
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.488
local terms energy: -68.057622
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -136.675324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.675324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.675324 (E_RNA)
where:
Base-Base interactions energy: -83.782
where: short stacking energy: -45.942
Base-Backbone interact. energy: -0.045
local terms energy: -52.848688
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -8.922
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: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -103.314808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.314808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.314808 (E_RNA)
where:
Base-Base interactions energy: -53.425
where: short stacking energy: -29.104
Base-Backbone interact. energy: -0.990
local terms energy: -48.899573
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: 3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -119.015615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.015615 (E_RNA)
where:
Base-Base interactions energy: -63.421
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.322
local terms energy: -55.272314
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -82.896671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896671 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.884
local terms energy: -49.891615
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -250.048482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.048482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.048482 (E_RNA)
where:
Base-Base interactions energy: -164.083
where: short stacking energy: -75.880
Base-Backbone interact. energy: -0.558
local terms energy: -85.408240
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -10.320
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: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -249.504189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.504189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.504189 (E_RNA)
where:
Base-Base interactions energy: -172.505
where: short stacking energy: -77.732
Base-Backbone interact. energy: -1.773
local terms energy: -75.225641
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -8.549
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: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -236.050659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.050659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.050659 (E_RNA)
where:
Base-Base interactions energy: -161.404
where: short stacking energy: -68.635
Base-Backbone interact. energy: 0.186
local terms energy: -74.832523
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.572
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: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -220.913183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.913183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.913183 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -73.012
Base-Backbone interact. energy: -0.834
local terms energy: -83.145887
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -175.247621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.247621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.247621 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.372
local terms energy: -66.456917
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -189.019831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019831 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -61.499
Base-Backbone interact. energy: -1.663
local terms energy: -58.901363
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -121.707421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.707421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.707421 (E_RNA)
where:
Base-Base interactions energy: -72.622
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.423
local terms energy: -48.663046
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -102.042181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.042181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.042181 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -27.260
Base-Backbone interact. energy: -0.538
local terms energy: -60.577028
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -96.154634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.154634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.154634 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.098
local terms energy: -55.490448
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -88.304409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.304409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.304409 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.105
local terms energy: -47.517034
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -6.306
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: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -251.929910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.929910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.929910 (E_RNA)
where:
Base-Base interactions energy: -170.640
where: short stacking energy: -77.097
Base-Backbone interact. energy: -0.306
local terms energy: -80.983215
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -240.773171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.773171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.773171 (E_RNA)
where:
Base-Base interactions energy: -162.683
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.660
local terms energy: -77.429737
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -237.088117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.088117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088117 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.032
local terms energy: -83.259710
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -205.192890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.192890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.192890 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -64.878
Base-Backbone interact. energy: -0.381
local terms energy: -78.336886
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -178.780455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.780455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.780455 (E_RNA)
where:
Base-Base interactions energy: -115.716
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.029
local terms energy: -63.035687
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -206.712870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.712870 (E_RNA)
where:
Base-Base interactions energy: -127.555
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.019
local terms energy: -79.139222
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -20.216
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: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -107.778348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.778348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.778348 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.099
local terms energy: -65.639026
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -99.975691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.975691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.975691 (E_RNA)
where:
Base-Base interactions energy: -49.030
where: short stacking energy: -40.281
Base-Backbone interact. energy: -0.011
local terms energy: -50.934169
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -4.509
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: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -81.145935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145935 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -19.445
Base-Backbone interact. energy: -0.580
local terms energy: -46.874434
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -96.379648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.379648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.379648 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.107
local terms energy: -63.752307
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -4.607
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: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -251.956609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.956609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.956609 (E_RNA)
where:
Base-Base interactions energy: -172.483
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.292
local terms energy: -79.182135
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -241.087479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.087479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.087479 (E_RNA)
where:
Base-Base interactions energy: -166.808
where: short stacking energy: -72.688
Base-Backbone interact. energy: 0.724
local terms energy: -75.004086
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -237.321777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.321777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.321777 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -67.569
Base-Backbone interact. energy: -1.354
local terms energy: -69.703095
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -212.697894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.697894 (E_RNA)
where:
Base-Base interactions energy: -136.823
where: short stacking energy: -72.030
Base-Backbone interact. energy: -0.745
local terms energy: -75.129838
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -216.706639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.706639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.706639 (E_RNA)
where:
Base-Base interactions energy: -142.466
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.485
local terms energy: -73.755691
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -179.654997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.654997 (E_RNA)
where:
Base-Base interactions energy: -111.053
where: short stacking energy: -57.912
Base-Backbone interact. energy: 0.853
local terms energy: -69.454812
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -13.159
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: 314
Temperature: 1.200000
Total energy: -109.797966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.797966 (E_RNA)
where:
Base-Base interactions energy: -56.368
where: short stacking energy: -46.675
Base-Backbone interact. energy: -0.224
local terms energy: -53.205699
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -97.446338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.446338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.446338 (E_RNA)
where:
Base-Base interactions energy: -52.774
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.293
local terms energy: -44.378669
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -1.227
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -85.632183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.632183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.632183 (E_RNA)
where:
Base-Base interactions energy: -40.081
where: short stacking energy: -35.541
Base-Backbone interact. energy: -0.131
local terms energy: -45.420250
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -6.583
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -92.389104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.389104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.389104 (E_RNA)
where:
Base-Base interactions energy: -37.215
where: short stacking energy: -35.666
Base-Backbone interact. energy: 0.196
local terms energy: -55.370271
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.497
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: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -248.581332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.581332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.581332 (E_RNA)
where:
Base-Base interactions energy: -173.899
where: short stacking energy: -70.287
Base-Backbone interact. energy: 0.066
local terms energy: -74.748787
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -245.082257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.082257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.082257 (E_RNA)
where:
Base-Base interactions energy: -160.957
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.413
local terms energy: -83.712791
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -13.434
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: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -232.903254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.903254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.903254 (E_RNA)
where:
Base-Base interactions energy: -158.204
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.477
local terms energy: -74.222015
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -217.852635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852635 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -75.870
Base-Backbone interact. energy: -0.002
local terms energy: -74.261906
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -211.513838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.513838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.513838 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -75.091
Base-Backbone interact. energy: -0.005
local terms energy: -83.917187
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -23.200
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: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -171.268959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.268959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.268959 (E_RNA)
where:
Base-Base interactions energy: -100.200
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.856
local terms energy: -70.212599
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -12.609
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: 315
Temperature: 1.200000
Total energy: -116.127669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.127669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.127669 (E_RNA)
where:
Base-Base interactions energy: -48.563
where: short stacking energy: -47.854
Base-Backbone interact. energy: -0.189
local terms energy: -67.375628
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -107.152181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.152181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.152181 (E_RNA)
where:
Base-Base interactions energy: -39.920
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.008
local terms energy: -67.224286
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -109.661827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.661827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.661827 (E_RNA)
where:
Base-Base interactions energy: -58.520
where: short stacking energy: -28.558
Base-Backbone interact. energy: -0.100
local terms energy: -51.041758
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: 1.323
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: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -83.707141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707141 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -21.108
Base-Backbone interact. energy: 0.548
local terms energy: -52.860400
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -249.640499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.640499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.640499 (E_RNA)
where:
Base-Base interactions energy: -171.261
where: short stacking energy: -74.445
Base-Backbone interact. energy: -0.183
local terms energy: -78.196399
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -12.258
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: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -242.635844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.635844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.635844 (E_RNA)
where:
Base-Base interactions energy: -160.976
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.852
local terms energy: -80.808043
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -221.492621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.492621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.492621 (E_RNA)
where:
Base-Base interactions energy: -146.408
where: short stacking energy: -83.900
Base-Backbone interact. energy: -0.010
local terms energy: -75.074355
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.143
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -244.790097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.790097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.790097 (E_RNA)
where:
Base-Base interactions energy: -167.116
where: short stacking energy: -69.778
Base-Backbone interact. energy: -1.038
local terms energy: -76.635690
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.747
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -196.161683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.161683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.161683 (E_RNA)
where:
Base-Base interactions energy: -122.009
where: short stacking energy: -56.574
Base-Backbone interact. energy: -1.084
local terms energy: -73.068699
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -169.550283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.550283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.550283 (E_RNA)
where:
Base-Base interactions energy: -98.704
where: short stacking energy: -52.952
Base-Backbone interact. energy: -0.017
local terms energy: -70.830020
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -105.948837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.948837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.948837 (E_RNA)
where:
Base-Base interactions energy: -49.988
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.194
local terms energy: -55.766431
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -5.534
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -95.637302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.637302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.637302 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -35.772
Base-Backbone interact. energy: -0.078
local terms energy: -59.786895
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -5.399
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -101.628445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.628445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.628445 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.560
local terms energy: -55.806449
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -79.876759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.876759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.876759 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -27.362
Base-Backbone interact. energy: 1.017
local terms energy: -44.218335
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -7.967
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -251.147607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.147607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.147607 (E_RNA)
where:
Base-Base interactions energy: -164.816
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.823
local terms energy: -85.508332
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -244.290709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.290709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.290709 (E_RNA)
where:
Base-Base interactions energy: -166.044
where: short stacking energy: -83.273
Base-Backbone interact. energy: -0.878
local terms energy: -77.368379
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -227.252774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.252774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.252774 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -86.530
Base-Backbone interact. energy: -0.185
local terms energy: -77.910969
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -233.920637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.920637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.920637 (E_RNA)
where:
Base-Base interactions energy: -167.265
where: short stacking energy: -71.872
Base-Backbone interact. energy: -1.413
local terms energy: -65.243073
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -7.683
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -17.439
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: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -200.388480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.388480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.388480 (E_RNA)
where:
Base-Base interactions energy: -128.219
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.161
local terms energy: -72.008345
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -177.393486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.393486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.393486 (E_RNA)
where:
Base-Base interactions energy: -100.594
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.004
local terms energy: -76.795645
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -97.368402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.368402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.368402 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.094
local terms energy: -62.069074
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -5.406
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: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -96.383438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.383438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.383438 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.268
local terms energy: -63.370018
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -102.131531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.131531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.131531 (E_RNA)
where:
Base-Base interactions energy: -44.326
where: short stacking energy: -42.474
Base-Backbone interact. energy: -0.158
local terms energy: -57.647413
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.443479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443479 (E_RNA)
where:
Base-Base interactions energy: -30.116
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.458
local terms energy: -50.869857
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -260.472913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.472913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.472913 (E_RNA)
where:
Base-Base interactions energy: -181.892
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.357
local terms energy: -78.223109
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -246.821814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.821814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.821814 (E_RNA)
where:
Base-Base interactions energy: -164.087
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.486
local terms energy: -82.249536
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -245.377418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.377418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.377418 (E_RNA)
where:
Base-Base interactions energy: -167.594
where: short stacking energy: -72.685
Base-Backbone interact. energy: -1.379
local terms energy: -76.403799
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -211.881945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.881945 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -81.768
Base-Backbone interact. energy: -0.016
local terms energy: -69.950320
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -8.023
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -189.461906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.461906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.461906 (E_RNA)
where:
Base-Base interactions energy: -113.956
where: short stacking energy: -56.298
Base-Backbone interact. energy: 0.043
local terms energy: -75.549509
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -203.023558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023558 (E_RNA)
where:
Base-Base interactions energy: -131.507
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.279
local terms energy: -71.237687
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -16.598
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: 318
Temperature: 1.200000
Total energy: -94.327777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.327777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.327777 (E_RNA)
where:
Base-Base interactions energy: -37.338
where: short stacking energy: -33.238
Base-Backbone interact. energy: 0.088
local terms energy: -57.077756
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -84.716187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.716187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.716187 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -29.693
Base-Backbone interact. energy: -0.214
local terms energy: -55.709953
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -90.059379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059379 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -32.578
Base-Backbone interact. energy: -0.038
local terms energy: -50.898357
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -9.215
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: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -86.341761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.341761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.341761 (E_RNA)
where:
Base-Base interactions energy: -34.716
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.045
local terms energy: -51.579949
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -5.483
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: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -248.291342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.291342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.291342 (E_RNA)
where:
Base-Base interactions energy: -166.080
where: short stacking energy: -76.101
Base-Backbone interact. energy: -0.343
local terms energy: -81.868086
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -251.861126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.861126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.861126 (E_RNA)
where:
Base-Base interactions energy: -169.749
where: short stacking energy: -83.505
Base-Backbone interact. energy: 0.528
local terms energy: -82.640084
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -245.608722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.608722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.608722 (E_RNA)
where:
Base-Base interactions energy: -163.199
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.819
local terms energy: -81.590213
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -11.279
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: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -206.534155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.534155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.534155 (E_RNA)
where:
Base-Base interactions energy: -130.473
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.097
local terms energy: -75.963443
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -212.990197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990197 (E_RNA)
where:
Base-Base interactions energy: -134.103
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.299
local terms energy: -78.588054
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -111.858505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.858505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.858505 (E_RNA)
where:
Base-Base interactions energy: -52.428
where: short stacking energy: -43.026
Base-Backbone interact. energy: -0.048
local terms energy: -59.382090
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.378
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: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -177.415390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.415390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.415390 (E_RNA)
where:
Base-Base interactions energy: -102.332
where: short stacking energy: -64.128
Base-Backbone interact. energy: -1.207
local terms energy: -73.876832
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -15.885
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: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -96.190017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.190017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.190017 (E_RNA)
where:
Base-Base interactions energy: -38.019
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.049
local terms energy: -58.122154
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -92.457477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.457477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.457477 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.058
local terms energy: -63.330084
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -84.197637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197637 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -36.036
Base-Backbone interact. energy: -0.163
local terms energy: -47.998151
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -4.476
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: 320
Temperature: 0.900000
Total energy: -248.099155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.099155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.099155 (E_RNA)
where:
Base-Base interactions energy: -161.616
where: short stacking energy: -74.835
Base-Backbone interact. energy: -1.073
local terms energy: -85.409670
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -248.325435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.325435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.325435 (E_RNA)
where:
Base-Base interactions energy: -160.276
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.232
local terms energy: -87.818031
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -14.700
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: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -238.429476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.429476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.429476 (E_RNA)
where:
Base-Base interactions energy: -164.416
where: short stacking energy: -76.594
Base-Backbone interact. energy: -0.291
local terms energy: -73.722562
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -223.455670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.455670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455670 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.137
local terms energy: -85.969470
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -204.494609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.494609 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -71.882
Base-Backbone interact. energy: -1.634
local terms energy: -72.210423
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -17.506
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: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -118.387259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.387259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.387259 (E_RNA)
where:
Base-Base interactions energy: -63.291
where: short stacking energy: -50.203
Base-Backbone interact. energy: -1.142
local terms energy: -53.954767
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -4.571
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -125.142408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.142408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.142408 (E_RNA)
where:
Base-Base interactions energy: -69.331
where: short stacking energy: -31.405
Base-Backbone interact. energy: 0.458
local terms energy: -56.269741
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: 0.561
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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -97.299206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.299206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.299206 (E_RNA)
where:
Base-Base interactions energy: -42.507
where: short stacking energy: -42.507
Base-Backbone interact. energy: -0.049
local terms energy: -54.742662
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -97.001135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.001135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.001135 (E_RNA)
where:
Base-Base interactions energy: -37.228
where: short stacking energy: -37.228
Base-Backbone interact. energy: -0.092
local terms energy: -59.681611
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -86.109887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.109887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.109887 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -33.054
Base-Backbone interact. energy: 2.093
local terms energy: -54.004040
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.245
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: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -257.025836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.025836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.025836 (E_RNA)
where:
Base-Base interactions energy: -174.048
where: short stacking energy: -77.028
Base-Backbone interact. energy: 0.976
local terms energy: -83.953298
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -244.496085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.496085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.496085 (E_RNA)
where:
Base-Base interactions energy: -169.281
where: short stacking energy: -67.150
Base-Backbone interact. energy: -0.211
local terms energy: -75.004090
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.311
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: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -235.565968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.565968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.565968 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.490
local terms energy: -78.179832
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -204.827741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.827741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.827741 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.627
local terms energy: -75.314936
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -9.738
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: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -172.519325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.519325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.519325 (E_RNA)
where:
Base-Base interactions energy: -104.099
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.080
local terms energy: -68.339842
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -103.616416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.616416 (E_RNA)
where:
Base-Base interactions energy: -49.114
where: short stacking energy: -39.916
Base-Backbone interact. energy: 2.211
local terms energy: -56.712838
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.438
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: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -100.944169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944169 (E_RNA)
where:
Base-Base interactions energy: -43.475
where: short stacking energy: -43.475
Base-Backbone interact. energy: -0.416
local terms energy: -57.052980
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -85.635613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635613 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.192
local terms energy: -55.864405
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -8.741
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: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -90.886680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.886680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.886680 (E_RNA)
where:
Base-Base interactions energy: -34.766
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.247
local terms energy: -55.874023
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -86.262384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262384 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -30.240
Base-Backbone interact. energy: 0.951
local terms energy: -48.691865
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: 1.638
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: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -252.167039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.167039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.167039 (E_RNA)
where:
Base-Base interactions energy: -180.443
where: short stacking energy: -77.514
Base-Backbone interact. energy: -0.227
local terms energy: -71.497173
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -243.811294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.811294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.811294 (E_RNA)
where:
Base-Base interactions energy: -164.170
where: short stacking energy: -73.228
Base-Backbone interact. energy: -0.850
local terms energy: -78.791614
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -238.164671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.164671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.164671 (E_RNA)
where:
Base-Base interactions energy: -161.784
where: short stacking energy: -75.082
Base-Backbone interact. energy: -0.275
local terms energy: -76.105472
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -208.946075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.946075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.946075 (E_RNA)
where:
Base-Base interactions energy: -132.675
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.469
local terms energy: -75.802053
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -185.416760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.416760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.416760 (E_RNA)
where:
Base-Base interactions energy: -108.567
where: short stacking energy: -64.331
Base-Backbone interact. energy: 0.339
local terms energy: -77.188557
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -19.046
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -103.433299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.433299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.433299 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -37.867
Base-Backbone interact. energy: -0.599
local terms energy: -61.089670
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -96.227052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227052 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.145
local terms energy: -56.310545
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -92.084951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.084951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.084951 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -32.363
Base-Backbone interact. energy: -0.214
local terms energy: -53.870703
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -92.088598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088598 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -34.333
Base-Backbone interact. energy: -0.377
local terms energy: -53.607838
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -100.902552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.902552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.902552 (E_RNA)
where:
Base-Base interactions energy: -41.788
where: short stacking energy: -41.788
Base-Backbone interact. energy: -0.521
local terms energy: -58.593700
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -251.017473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.017473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.017473 (E_RNA)
where:
Base-Base interactions energy: -174.376
where: short stacking energy: -63.453
Base-Backbone interact. energy: 0.219
local terms energy: -76.860485
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -245.018511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.018511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.018511 (E_RNA)
where:
Base-Base interactions energy: -164.395
where: short stacking energy: -81.022
Base-Backbone interact. energy: -0.428
local terms energy: -80.194984
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -247.504738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.504738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.504738 (E_RNA)
where:
Base-Base interactions energy: -170.478
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.272
local terms energy: -76.755264
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -11.203
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: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -208.083096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.083096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.083096 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -68.328
Base-Backbone interact. energy: -0.193
local terms energy: -76.185665
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -185.696658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.696658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.696658 (E_RNA)
where:
Base-Base interactions energy: -113.914
where: short stacking energy: -62.758
Base-Backbone interact. energy: -0.659
local terms energy: -71.123333
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -17.045
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: 323
Temperature: 1.150000
Total energy: -111.866194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.866194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.866194 (E_RNA)
where:
Base-Base interactions energy: -49.291
where: short stacking energy: -43.692
Base-Backbone interact. energy: -0.284
local terms energy: -62.291237
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -112.749263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.749263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.749263 (E_RNA)
where:
Base-Base interactions energy: -55.766
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.420
local terms energy: -56.563787
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -4.766
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -111.599883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.599883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.599883 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -44.008
Base-Backbone interact. energy: -1.887
local terms energy: -65.315954
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -8.631
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: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -95.708882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708882 (E_RNA)
where:
Base-Base interactions energy: -47.070
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.031
local terms energy: -48.608379
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -85.816352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.816352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.816352 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -36.009
Base-Backbone interact. energy: -0.006
local terms energy: -48.905680
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -1.736
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: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -251.435328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.435328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.435328 (E_RNA)
where:
Base-Base interactions energy: -166.111
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.407
local terms energy: -84.917506
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -241.764662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.764662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.764662 (E_RNA)
where:
Base-Base interactions energy: -163.089
where: short stacking energy: -74.003
Base-Backbone interact. energy: 0.183
local terms energy: -78.858953
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.750
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: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -239.764993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.764993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.764993 (E_RNA)
where:
Base-Base interactions energy: -161.715
where: short stacking energy: -75.590
Base-Backbone interact. energy: -0.283
local terms energy: -77.766958
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -193.575868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.575868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.575868 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.619
local terms energy: -72.274670
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -13.437
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: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -188.315277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.315277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.315277 (E_RNA)
where:
Base-Base interactions energy: -106.904
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.448
local terms energy: -80.962993
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -20.737
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: 324
Temperature: 1.150000
Total energy: -105.847365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.847365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.847365 (E_RNA)
where:
Base-Base interactions energy: -48.741
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.102
local terms energy: -57.003947
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -115.566755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.566755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.566755 (E_RNA)
where:
Base-Base interactions energy: -55.735
where: short stacking energy: -38.642
Base-Backbone interact. energy: -0.256
local terms energy: -59.575914
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -86.866799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866799 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.166
local terms energy: -45.565219
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -88.163189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.163189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.163189 (E_RNA)
where:
Base-Base interactions energy: -31.437
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.202
local terms energy: -56.523740
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -93.030243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.030243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.030243 (E_RNA)
where:
Base-Base interactions energy: -40.380
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.183
local terms energy: -52.466990
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -244.796717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.796717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.796717 (E_RNA)
where:
Base-Base interactions energy: -164.695
where: short stacking energy: -68.394
Base-Backbone interact. energy: 1.643
local terms energy: -81.745112
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -248.938625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.938625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.938625 (E_RNA)
where:
Base-Base interactions energy: -175.909
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.386
local terms energy: -72.643166
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -239.564495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.564495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.564495 (E_RNA)
where:
Base-Base interactions energy: -162.202
where: short stacking energy: -76.737
Base-Backbone interact. energy: -1.004
local terms energy: -76.358775
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -7.857
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -190.493398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.493398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.493398 (E_RNA)
where:
Base-Base interactions energy: -110.962
where: short stacking energy: -62.017
Base-Backbone interact. energy: -1.809
local terms energy: -77.721744
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -183.806857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.806857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.806857 (E_RNA)
where:
Base-Base interactions energy: -108.645
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.190
local terms energy: -74.971722
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.816
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: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -104.975870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.975870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.975870 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -45.786
Base-Backbone interact. energy: -1.210
local terms energy: -58.766616
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -8.514
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -131.793712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.793712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.793712 (E_RNA)
where:
Base-Base interactions energy: -59.639
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.001
local terms energy: -72.153538
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -91.570746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570746 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.255
local terms energy: -53.515851
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -5.362
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: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -97.485625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.485625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.485625 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.022
local terms energy: -54.290942
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -76.080765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.080765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.080765 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.145
local terms energy: -48.677254
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: 3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -249.278278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.278278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.278278 (E_RNA)
where:
Base-Base interactions energy: -168.698
where: short stacking energy: -81.971
Base-Backbone interact. energy: -0.184
local terms energy: -80.395855
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -250.501931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.501931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.501931 (E_RNA)
where:
Base-Base interactions energy: -174.118
where: short stacking energy: -71.920
Base-Backbone interact. energy: 1.330
local terms energy: -77.713621
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -240.811862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.811862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.811862 (E_RNA)
where:
Base-Base interactions energy: -161.557
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.379
local terms energy: -78.875804
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -204.894998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.894998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894998 (E_RNA)
where:
Base-Base interactions energy: -122.710
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.349
local terms energy: -81.836426
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -13.908
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: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -212.888795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888795 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.057
local terms energy: -78.755060
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -24.765
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: 326
Temperature: 1.150000
Total energy: -117.161260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.161260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.161260 (E_RNA)
where:
Base-Base interactions energy: -52.361
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.104
local terms energy: -64.696655
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -97.736676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.736676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.736676 (E_RNA)
where:
Base-Base interactions energy: -38.777
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.052
local terms energy: -58.907647
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -92.249876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.249876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.249876 (E_RNA)
where:
Base-Base interactions energy: -33.847
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.015
local terms energy: -58.387913
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -7.723
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: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -86.884405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884405 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.184
local terms energy: -56.027739
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -3.031
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -94.965206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.965206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.965206 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -36.489
Base-Backbone interact. energy: -0.723
local terms energy: -54.976703
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -245.210854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.210854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.210854 (E_RNA)
where:
Base-Base interactions energy: -168.369
where: short stacking energy: -77.772
Base-Backbone interact. energy: -0.616
local terms energy: -76.225628
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -246.380722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.380722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.380722 (E_RNA)
where:
Base-Base interactions energy: -170.561
where: short stacking energy: -69.567
Base-Backbone interact. energy: 0.127
local terms energy: -75.947071
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -242.495497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.495497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.495497 (E_RNA)
where:
Base-Base interactions energy: -159.446
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.383
local terms energy: -82.665794
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -231.231945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.231945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.231945 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -84.763
Base-Backbone interact. energy: 0.221
local terms energy: -83.476932
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -10.224
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: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.876808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.876808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.876808 (E_RNA)
where:
Base-Base interactions energy: -129.851
where: short stacking energy: -70.264
Base-Backbone interact. energy: -1.314
local terms energy: -76.712264
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -111.053612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.053612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.053612 (E_RNA)
where:
Base-Base interactions energy: -49.087
where: short stacking energy: -47.264
Base-Backbone interact. energy: -0.092
local terms energy: -61.874166
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -4.766
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -99.478542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.478542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.478542 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -39.946
Base-Backbone interact. energy: -0.092
local terms energy: -59.425639
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -85.676942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.676942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.676942 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.204
local terms energy: -56.946869
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.610
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: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -80.798938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.798938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.798938 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -35.850
Base-Backbone interact. energy: -0.092
local terms energy: -44.510055
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -8.911
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -95.484728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.484728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.484728 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -36.158
Base-Backbone interact. energy: -0.387
local terms energy: -56.806713
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -253.516273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.516273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.516273 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -69.923
Base-Backbone interact. energy: -0.316
local terms energy: -85.013611
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.839
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: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -240.552430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.552430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.552430 (E_RNA)
where:
Base-Base interactions energy: -159.187
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.738
local terms energy: -80.627306
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -233.175823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.175823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.175823 (E_RNA)
where:
Base-Base interactions energy: -162.333
where: short stacking energy: -72.615
Base-Backbone interact. energy: -1.205
local terms energy: -69.637695
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -205.000117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.000117 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.870
local terms energy: -76.084645
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -179.243572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.243572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.243572 (E_RNA)
where:
Base-Base interactions energy: -109.402
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.139
local terms energy: -69.702284
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -95.802218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802218 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -30.941
Base-Backbone interact. energy: 0.234
local terms energy: -58.167027
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -104.449423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.449423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.449423 (E_RNA)
where:
Base-Base interactions energy: -42.261
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.069
local terms energy: -62.119896
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -96.159150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.159150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.159150 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.110
local terms energy: -59.979079
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -89.282068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.282068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.282068 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -19.730
Base-Backbone interact. energy: -0.233
local terms energy: -54.350285
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -84.048042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.048042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.048042 (E_RNA)
where:
Base-Base interactions energy: -29.908
where: short stacking energy: -29.908
Base-Backbone interact. energy: -0.115
local terms energy: -54.024733
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -1.129
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: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -252.922642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922642 (E_RNA)
where:
Base-Base interactions energy: -170.282
where: short stacking energy: -73.714
Base-Backbone interact. energy: -0.387
local terms energy: -82.253916
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -258.028465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.028465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.028465 (E_RNA)
where:
Base-Base interactions energy: -174.010
where: short stacking energy: -76.539
Base-Backbone interact. energy: -0.665
local terms energy: -83.353858
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -240.585197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.585197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.585197 (E_RNA)
where:
Base-Base interactions energy: -164.191
where: short stacking energy: -69.476
Base-Backbone interact. energy: -1.020
local terms energy: -75.374350
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -15.438
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: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -196.561196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.561196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.561196 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -65.146
Base-Backbone interact. energy: 0.878
local terms energy: -82.988243
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -20.806
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -190.550143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.550143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550143 (E_RNA)
where:
Base-Base interactions energy: -118.500
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.098
local terms energy: -71.952319
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -99.728024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.728024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.728024 (E_RNA)
where:
Base-Base interactions energy: -43.977
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.113
local terms energy: -55.638596
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -2.890
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -101.678504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.678504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.678504 (E_RNA)
where:
Base-Base interactions energy: -43.349
where: short stacking energy: -43.335
Base-Backbone interact. energy: -0.113
local terms energy: -58.217066
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -8.103
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -97.210187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.210187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.210187 (E_RNA)
where:
Base-Base interactions energy: -45.065
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.136
local terms energy: -52.008458
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -100.153540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.153540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.153540 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.228
local terms energy: -53.012901
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -92.693767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.693767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.693767 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -39.779
Base-Backbone interact. energy: -1.327
local terms energy: -49.119864
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -261.141165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.141165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.141165 (E_RNA)
where:
Base-Base interactions energy: -172.289
where: short stacking energy: -81.356
Base-Backbone interact. energy: -0.287
local terms energy: -88.564557
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -22.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -246.691772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.691772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.691772 (E_RNA)
where:
Base-Base interactions energy: -170.682
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.202
local terms energy: -75.808050
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -18.615
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: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -237.496023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.496023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.496023 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.347
local terms energy: -70.208389
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -193.828157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.828157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.828157 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.025
local terms energy: -67.258696
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -120.652787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.652787 (E_RNA)
where:
Base-Base interactions energy: -50.679
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.090
local terms energy: -69.883272
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -9.220
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: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -185.497896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.497896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.497896 (E_RNA)
where:
Base-Base interactions energy: -117.615
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.069
local terms energy: -67.814432
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -13.577
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -94.995180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.995180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.995180 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -36.124
Base-Backbone interact. energy: -0.119
local terms energy: -57.462150
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -93.662838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.662838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.662838 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -36.834
Base-Backbone interact. energy: -0.151
local terms energy: -51.905896
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -2.756
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: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -95.925129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925129 (E_RNA)
where:
Base-Base interactions energy: -36.615
where: short stacking energy: -27.344
Base-Backbone interact. energy: 0.785
local terms energy: -60.095508
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -88.226057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.226057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.226057 (E_RNA)
where:
Base-Base interactions energy: -31.007
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.003
local terms energy: -57.215867
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -3.705
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: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -257.791773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.791773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.791773 (E_RNA)
where:
Base-Base interactions energy: -171.541
where: short stacking energy: -84.812
Base-Backbone interact. energy: -1.252
local terms energy: -84.998709
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -20.636
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: 331
Temperature: 0.950000
Total energy: -251.220982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.220982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.220982 (E_RNA)
where:
Base-Base interactions energy: -168.429
where: short stacking energy: -80.855
Base-Backbone interact. energy: -0.391
local terms energy: -82.400365
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -233.523257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.523257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.523257 (E_RNA)
where:
Base-Base interactions energy: -151.375
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.850
local terms energy: -81.298636
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.537
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -209.909764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.909764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.909764 (E_RNA)
where:
Base-Base interactions energy: -137.901
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.399
local terms energy: -71.609786
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -122.724665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.724665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.724665 (E_RNA)
where:
Base-Base interactions energy: -54.137
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.022
local terms energy: -68.565805
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -176.725723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.725723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.725723 (E_RNA)
where:
Base-Base interactions energy: -105.891
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.567
local terms energy: -70.267943
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -11.891
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: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -106.815750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.815750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.815750 (E_RNA)
where:
Base-Base interactions energy: -46.997
where: short stacking energy: -46.997
Base-Backbone interact. energy: 0.055
local terms energy: -59.873866
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -94.721197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721197 (E_RNA)
where:
Base-Base interactions energy: -44.834
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.025
local terms energy: -49.861562
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -7.788
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: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -89.919483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.919483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.919483 (E_RNA)
where:
Base-Base interactions energy: -32.543
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.121
local terms energy: -57.255815
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.355
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: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -101.038387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.038387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.038387 (E_RNA)
where:
Base-Base interactions energy: -45.594
where: short stacking energy: -43.241
Base-Backbone interact. energy: 0.588
local terms energy: -56.032010
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -9.165
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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -250.467843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.467843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.467843 (E_RNA)
where:
Base-Base interactions energy: -170.209
where: short stacking energy: -78.891
Base-Backbone interact. energy: -0.219
local terms energy: -80.040038
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -20.384
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: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -247.043833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.043833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.043833 (E_RNA)
where:
Base-Base interactions energy: -165.112
where: short stacking energy: -81.734
Base-Backbone interact. energy: -0.856
local terms energy: -81.075120
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -13.529
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: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -220.411937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.411937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.411937 (E_RNA)
where:
Base-Base interactions energy: -146.296
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.324
local terms energy: -73.791491
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -13.404
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: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -234.074328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.074328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.074328 (E_RNA)
where:
Base-Base interactions energy: -162.916
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.747
local terms energy: -70.410863
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -190.944014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944014 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.207
local terms energy: -65.207077
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -111.346858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.346858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.346858 (E_RNA)
where:
Base-Base interactions energy: -53.503
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.669
local terms energy: -57.174835
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -2.221
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -109.498641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.498641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.498641 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -37.348
Base-Backbone interact. energy: -0.477
local terms energy: -60.803189
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -8.517
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -98.492769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.492769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.492769 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -26.988
Base-Backbone interact. energy: -0.267
local terms energy: -67.160008
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -81.855085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.855085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.855085 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.204
local terms energy: -49.413441
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -79.526196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.526196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.526196 (E_RNA)
where:
Base-Base interactions energy: -28.602
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.125
local terms energy: -50.798957
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -2.062
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -252.179870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.179870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.179870 (E_RNA)
where:
Base-Base interactions energy: -167.390
where: short stacking energy: -78.901
Base-Backbone interact. energy: -0.320
local terms energy: -84.470450
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -231.341324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.341324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.341324 (E_RNA)
where:
Base-Base interactions energy: -153.414
where: short stacking energy: -65.239
Base-Backbone interact. energy: -1.266
local terms energy: -76.660727
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -12.593
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: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -239.079674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.079674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.079674 (E_RNA)
where:
Base-Base interactions energy: -160.683
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.593
local terms energy: -77.804226
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -245.404389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.404389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.404389 (E_RNA)
where:
Base-Base interactions energy: -172.066
where: short stacking energy: -74.243
Base-Backbone interact. energy: -0.315
local terms energy: -73.023257
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -171.859566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.859566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.859566 (E_RNA)
where:
Base-Base interactions energy: -112.479
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.275
local terms energy: -59.105517
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -13.909
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: 333
Temperature: 1.150000
Total energy: -102.750078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.750078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.750078 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.078
local terms energy: -65.314619
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -8.000
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: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -107.538333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.538333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.538333 (E_RNA)
where:
Base-Base interactions energy: -48.073
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.033
local terms energy: -59.432636
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -7.483
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: 333
Temperature: 1.250000
Total energy: -88.011478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.011478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.011478 (E_RNA)
where:
Base-Base interactions energy: -37.833
where: short stacking energy: -32.162
Base-Backbone interact. energy: 1.003
local terms energy: -51.181904
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -91.308801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308801 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.846
local terms energy: -57.527683
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -103.733503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.733503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.733503 (E_RNA)
where:
Base-Base interactions energy: -47.184
where: short stacking energy: -34.764
Base-Backbone interact. energy: -0.352
local terms energy: -56.197622
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -4.395
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: 334
Temperature: 0.900000
Total energy: -248.492649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.492649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.492649 (E_RNA)
where:
Base-Base interactions energy: -164.365
where: short stacking energy: -71.647
Base-Backbone interact. energy: -1.182
local terms energy: -82.945702
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -19.848
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -231.363156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.363156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.363156 (E_RNA)
where:
Base-Base interactions energy: -163.397
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.524
local terms energy: -67.442782
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -13.590
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: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -245.847951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.847951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.847951 (E_RNA)
where:
Base-Base interactions energy: -167.692
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.141
local terms energy: -78.014906
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -231.480122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.480122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.480122 (E_RNA)
where:
Base-Base interactions energy: -154.843
where: short stacking energy: -61.744
Base-Backbone interact. energy: -1.337
local terms energy: -75.300477
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -177.059414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.059414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.059414 (E_RNA)
where:
Base-Base interactions energy: -107.676
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.982
local terms energy: -68.401284
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -110.501297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.501297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.501297 (E_RNA)
where:
Base-Base interactions energy: -53.890
where: short stacking energy: -40.483
Base-Backbone interact. energy: -0.711
local terms energy: -55.900424
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -113.448626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.448626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.448626 (E_RNA)
where:
Base-Base interactions energy: -48.390
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.196
local terms energy: -64.862827
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -95.511640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511640 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -27.525
Base-Backbone interact. energy: -0.040
local terms energy: -60.290829
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -3.854
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: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -91.319843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.319843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.319843 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -30.225
Base-Backbone interact. energy: -0.264
local terms energy: -57.800700
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -9.210
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: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -89.661512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661512 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -36.892
Base-Backbone interact. energy: -0.849
local terms energy: -51.920410
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -248.718619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.718619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.718619 (E_RNA)
where:
Base-Base interactions energy: -166.192
where: short stacking energy: -66.032
Base-Backbone interact. energy: 0.233
local terms energy: -82.759860
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -248.184136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.184136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.184136 (E_RNA)
where:
Base-Base interactions energy: -174.529
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.434
local terms energy: -73.220887
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -228.939760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.939760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.939760 (E_RNA)
where:
Base-Base interactions energy: -156.814
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.089
local terms energy: -72.036525
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -229.731134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.731134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.731134 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.214
local terms energy: -80.146623
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.799
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: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -174.214627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.214627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.214627 (E_RNA)
where:
Base-Base interactions energy: -105.659
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.833
local terms energy: -67.723617
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -102.498516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498516 (E_RNA)
where:
Base-Base interactions energy: -42.219
where: short stacking energy: -41.984
Base-Backbone interact. energy: -0.092
local terms energy: -60.188184
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -96.589943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.589943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.589943 (E_RNA)
where:
Base-Base interactions energy: -46.048
where: short stacking energy: -45.596
Base-Backbone interact. energy: -0.152
local terms energy: -50.389739
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -96.544831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.544831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.544831 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -35.819
Base-Backbone interact. energy: -0.284
local terms energy: -58.889628
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -84.019284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019284 (E_RNA)
where:
Base-Base interactions energy: -22.930
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.166
local terms energy: -60.923668
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -98.057945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.057945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.057945 (E_RNA)
where:
Base-Base interactions energy: -43.597
where: short stacking energy: -29.508
Base-Backbone interact. energy: 0.292
local terms energy: -54.752880
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.777
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -254.005335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.005335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.005335 (E_RNA)
where:
Base-Base interactions energy: -168.728
where: short stacking energy: -79.969
Base-Backbone interact. energy: -2.084
local terms energy: -83.193501
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -244.004819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.004819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.004819 (E_RNA)
where:
Base-Base interactions energy: -169.281
where: short stacking energy: -73.664
Base-Backbone interact. energy: 0.035
local terms energy: -74.758637
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -235.119871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.119871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.119871 (E_RNA)
where:
Base-Base interactions energy: -163.815
where: short stacking energy: -73.978
Base-Backbone interact. energy: -1.519
local terms energy: -69.784968
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -219.393367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.393367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.393367 (E_RNA)
where:
Base-Base interactions energy: -142.724
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.531
local terms energy: -76.138121
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -11.848
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: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -186.316418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.316418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.316418 (E_RNA)
where:
Base-Base interactions energy: -126.307
where: short stacking energy: -52.040
Base-Backbone interact. energy: 0.972
local terms energy: -60.982031
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -11.399
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -96.642178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.642178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.642178 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -33.005
Base-Backbone interact. energy: -0.148
local terms energy: -57.884562
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -13.033
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -100.363259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.363259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.363259 (E_RNA)
where:
Base-Base interactions energy: -42.666
where: short stacking energy: -28.555
Base-Backbone interact. energy: 0.594
local terms energy: -58.291699
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.421
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -93.733252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.733252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.733252 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -43.136
Base-Backbone interact. energy: -0.384
local terms energy: -49.565271
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -101.751089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.751089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.751089 (E_RNA)
where:
Base-Base interactions energy: -44.780
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.340
local terms energy: -56.631310
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -3.088
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: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -81.320476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.320476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.320476 (E_RNA)
where:
Base-Base interactions energy: -30.320
where: short stacking energy: -30.320
Base-Backbone interact. energy: -0.266
local terms energy: -50.734320
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -4.210
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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -248.196458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.196458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.196458 (E_RNA)
where:
Base-Base interactions energy: -170.292
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.418
local terms energy: -77.486753
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -19.224
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: 337
Temperature: 0.950000
Total energy: -245.528971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.528971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.528971 (E_RNA)
where:
Base-Base interactions energy: -174.111
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.753
local terms energy: -70.664973
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -240.680247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.680247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.680247 (E_RNA)
where:
Base-Base interactions energy: -166.973
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.332
local terms energy: -73.375807
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -200.318026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.318026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.318026 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -59.407
Base-Backbone interact. energy: -0.586
local terms energy: -73.078467
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -18.419
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: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -218.176446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.176446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.176446 (E_RNA)
where:
Base-Base interactions energy: -153.961
where: short stacking energy: -65.940
Base-Backbone interact. energy: 2.300
local terms energy: -66.515792
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -124.033746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.033746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.033746 (E_RNA)
where:
Base-Base interactions energy: -55.445
where: short stacking energy: -46.410
Base-Backbone interact. energy: 1.497
local terms energy: -70.085626
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -105.938186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938186 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -41.847
Base-Backbone interact. energy: -0.074
local terms energy: -64.017348
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -106.012187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.012187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.012187 (E_RNA)
where:
Base-Base interactions energy: -54.887
where: short stacking energy: -33.005
Base-Backbone interact. energy: -0.295
local terms energy: -50.830522
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -96.366297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366297 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.003
local terms energy: -64.441220
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -70.121075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.121075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.121075 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.056
Base-Backbone interact. energy: -0.478
local terms energy: -46.521686
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: 4.029
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: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -249.055324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.055324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.055324 (E_RNA)
where:
Base-Base interactions energy: -168.007
where: short stacking energy: -79.624
Base-Backbone interact. energy: -1.198
local terms energy: -79.850665
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -21.860
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -235.623738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.623738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.623738 (E_RNA)
where:
Base-Base interactions energy: -162.382
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.492
local terms energy: -72.750447
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -6.215
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: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -245.376978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.376978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.376978 (E_RNA)
where:
Base-Base interactions energy: -168.587
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.281
local terms energy: -76.508700
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -216.968218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.968218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.968218 (E_RNA)
where:
Base-Base interactions energy: -131.161
where: short stacking energy: -67.674
Base-Backbone interact. energy: -1.202
local terms energy: -84.605881
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -228.682476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.682476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.682476 (E_RNA)
where:
Base-Base interactions energy: -148.394
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.577
local terms energy: -79.710872
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -103.962787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.962787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.962787 (E_RNA)
where:
Base-Base interactions energy: -48.577
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.776
local terms energy: -54.609421
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.902
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: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -116.912813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.912813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.912813 (E_RNA)
where:
Base-Base interactions energy: -52.639
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.720
local terms energy: -63.553026
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.252
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -120.272466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.272466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.272466 (E_RNA)
where:
Base-Base interactions energy: -60.042
where: short stacking energy: -51.085
Base-Backbone interact. energy: 2.390
local terms energy: -62.620502
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -9.621
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -97.030988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.030988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.030988 (E_RNA)
where:
Base-Base interactions energy: -47.416
where: short stacking energy: -35.170
Base-Backbone interact. energy: 0.374
local terms energy: -49.988804
where:
bonds (distance) C4'-P energy: -5.994
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -0.318
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: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -76.611206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.611206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.611206 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.843
local terms energy: -46.763457
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: 2.408
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -252.077011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.077011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.077011 (E_RNA)
where:
Base-Base interactions energy: -167.574
where: short stacking energy: -76.781
Base-Backbone interact. energy: 0.348
local terms energy: -84.850148
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -12.704
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -250.295244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.295244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.295244 (E_RNA)
where:
Base-Base interactions energy: -171.695
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.288
local terms energy: -78.312038
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -238.940824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.940824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.940824 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.294
local terms energy: -76.194573
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.831
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: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -227.812929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.812929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.812929 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.197
local terms energy: -88.354380
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -13.284
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -198.793411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.793411 (E_RNA)
where:
Base-Base interactions energy: -125.180
where: short stacking energy: -70.189
Base-Backbone interact. energy: 0.473
local terms energy: -74.086883
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -17.985
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: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -104.302634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302634 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -30.002
Base-Backbone interact. energy: -0.141
local terms energy: -58.279476
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -114.227634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.227634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.227634 (E_RNA)
where:
Base-Base interactions energy: -58.541
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.121
local terms energy: -55.565303
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -2.721
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: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -103.434238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.434238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.434238 (E_RNA)
where:
Base-Base interactions energy: -60.453
where: short stacking energy: -32.402
Base-Backbone interact. energy: 2.396
local terms energy: -45.377109
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: 3.455
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: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -110.339619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.339619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.339619 (E_RNA)
where:
Base-Base interactions energy: -54.705
where: short stacking energy: -32.115
Base-Backbone interact. energy: -0.014
local terms energy: -55.620876
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -84.499208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499208 (E_RNA)
where:
Base-Base interactions energy: -37.512
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.039
local terms energy: -46.948095
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -258.768922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.768922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.768922 (E_RNA)
where:
Base-Base interactions energy: -174.394
where: short stacking energy: -78.091
Base-Backbone interact. energy: -0.351
local terms energy: -84.023670
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -247.121863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.121863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.121863 (E_RNA)
where:
Base-Base interactions energy: -166.809
where: short stacking energy: -76.303
Base-Backbone interact. energy: 1.698
local terms energy: -82.011403
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.552
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -225.045374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.045374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.045374 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -73.997
Base-Backbone interact. energy: 0.882
local terms energy: -64.581702
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -236.778614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.778614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778614 (E_RNA)
where:
Base-Base interactions energy: -153.926
where: short stacking energy: -64.207
Base-Backbone interact. energy: -1.427
local terms energy: -81.425445
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -181.558697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.558697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.558697 (E_RNA)
where:
Base-Base interactions energy: -113.408
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.272
local terms energy: -67.878582
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -99.535457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.535457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.535457 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -35.303
Base-Backbone interact. energy: 0.260
local terms energy: -59.131032
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -10.210
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: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -104.823545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.823545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.823545 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -27.783
Base-Backbone interact. energy: -0.028
local terms energy: -55.506932
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -3.791
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -97.534742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.534742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.534742 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -24.043
Base-Backbone interact. energy: -0.326
local terms energy: -51.896126
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.838
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: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -99.136610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.136610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.136610 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -35.540
Base-Backbone interact. energy: -0.109
local terms energy: -55.835479
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -92.187792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.187792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.187792 (E_RNA)
where:
Base-Base interactions energy: -33.674
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.145
local terms energy: -58.368920
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -7.908
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: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -254.139735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.139735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.139735 (E_RNA)
where:
Base-Base interactions energy: -172.174
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.844
local terms energy: -81.121772
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -249.803634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.803634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.803634 (E_RNA)
where:
Base-Base interactions energy: -169.039
where: short stacking energy: -75.035
Base-Backbone interact. energy: -0.783
local terms energy: -79.982111
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -225.756579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.756579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.756579 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.420
local terms energy: -78.620081
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -13.273
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: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -225.738948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.738948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.738948 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -63.263
Base-Backbone interact. energy: -0.744
local terms energy: -73.674867
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -199.766069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.766069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.766069 (E_RNA)
where:
Base-Base interactions energy: -121.952
where: short stacking energy: -65.619
Base-Backbone interact. energy: -1.375
local terms energy: -76.439964
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -115.304085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.304085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.304085 (E_RNA)
where:
Base-Base interactions energy: -61.484
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.112
local terms energy: -53.708252
where:
bonds (distance) C4'-P energy: -5.946
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -8.962
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -100.292108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292108 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -32.463
Base-Backbone interact. energy: -2.190
local terms energy: -57.611673
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -102.254437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.254437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.254437 (E_RNA)
where:
Base-Base interactions energy: -47.722
where: short stacking energy: -21.666
Base-Backbone interact. energy: -0.463
local terms energy: -54.069415
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.461
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: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -87.663990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.663990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.663990 (E_RNA)
where:
Base-Base interactions energy: -28.857
where: short stacking energy: -28.857
Base-Backbone interact. energy: -0.235
local terms energy: -58.572292
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -4.310
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: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -77.079743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.079743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.079743 (E_RNA)
where:
Base-Base interactions energy: -26.322
where: short stacking energy: -17.956
Base-Backbone interact. energy: 0.489
local terms energy: -51.246945
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -1.433
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: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -253.863411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.863411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.863411 (E_RNA)
where:
Base-Base interactions energy: -175.605
where: short stacking energy: -82.978
Base-Backbone interact. energy: -0.079
local terms energy: -78.179772
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -19.683
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: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -239.083354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.083354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.083354 (E_RNA)
where:
Base-Base interactions energy: -160.320
where: short stacking energy: -76.964
Base-Backbone interact. energy: -0.196
local terms energy: -78.567367
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -19.762
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: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -244.629151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.629151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.629151 (E_RNA)
where:
Base-Base interactions energy: -166.527
where: short stacking energy: -73.699
Base-Backbone interact. energy: 1.851
local terms energy: -79.952933
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -227.113065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.113065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.113065 (E_RNA)
where:
Base-Base interactions energy: -153.403
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.240
local terms energy: -73.469210
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -16.424
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: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -190.180222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.180222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.180222 (E_RNA)
where:
Base-Base interactions energy: -123.915
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.071
local terms energy: -66.194500
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -7.740
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -17.223
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: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -109.354725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.354725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.354725 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -45.566
Base-Backbone interact. energy: -0.287
local terms energy: -61.423901
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -105.582722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.582722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.582722 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -47.823
Base-Backbone interact. energy: 3.091
local terms energy: -60.005796
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -111.612138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.612138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.612138 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.423
local terms energy: -58.243011
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -109.928560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.928560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.928560 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -40.338
Base-Backbone interact. energy: 1.606
local terms energy: -61.301649
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.913965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.913965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.913965 (E_RNA)
where:
Base-Base interactions energy: -26.436
where: short stacking energy: -18.626
Base-Backbone interact. energy: -0.141
local terms energy: -60.337039
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -4.568
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: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -256.924808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.924808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.924808 (E_RNA)
where:
Base-Base interactions energy: -177.911
where: short stacking energy: -80.080
Base-Backbone interact. energy: -0.453
local terms energy: -78.560221
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -248.250160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.250160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.250160 (E_RNA)
where:
Base-Base interactions energy: -169.729
where: short stacking energy: -76.519
Base-Backbone interact. energy: 1.527
local terms energy: -80.047911
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -244.987511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.987511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.987511 (E_RNA)
where:
Base-Base interactions energy: -169.338
where: short stacking energy: -73.089
Base-Backbone interact. energy: -1.243
local terms energy: -74.406472
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -227.416387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.416387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.416387 (E_RNA)
where:
Base-Base interactions energy: -152.024
where: short stacking energy: -72.926
Base-Backbone interact. energy: 2.427
local terms energy: -77.819652
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -188.509964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.509964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509964 (E_RNA)
where:
Base-Base interactions energy: -119.800
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.044
local terms energy: -68.665295
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -10.357
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -107.413268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.413268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.413268 (E_RNA)
where:
Base-Base interactions energy: -48.990
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.542
local terms energy: -57.881207
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -6.615
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: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -96.679366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.679366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.679366 (E_RNA)
where:
Base-Base interactions energy: -43.227
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.241
local terms energy: -53.211196
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.699
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: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.528463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528463 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -24.752
Base-Backbone interact. energy: -1.042
local terms energy: -47.709212
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: 5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -93.157633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157633 (E_RNA)
where:
Base-Base interactions energy: -32.696
where: short stacking energy: -22.054
Base-Backbone interact. energy: 0.191
local terms energy: -60.651857
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -99.543736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.543736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.543736 (E_RNA)
where:
Base-Base interactions energy: -39.138
where: short stacking energy: -30.014
Base-Backbone interact. energy: -0.139
local terms energy: -60.266481
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -254.010451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.010451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.010451 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -81.731
Base-Backbone interact. energy: 1.454
local terms energy: -82.262684
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -246.938642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.938642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.938642 (E_RNA)
where:
Base-Base interactions energy: -169.138
where: short stacking energy: -79.894
Base-Backbone interact. energy: -0.192
local terms energy: -77.608272
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -17.609
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: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -226.882063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.882063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.882063 (E_RNA)
where:
Base-Base interactions energy: -152.282
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.224
local terms energy: -74.376223
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -235.896968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.896968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.896968 (E_RNA)
where:
Base-Base interactions energy: -161.034
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.423
local terms energy: -74.440551
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -185.655738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.655738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655738 (E_RNA)
where:
Base-Base interactions energy: -118.670
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.608
local terms energy: -66.377983
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -108.046386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.046386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.046386 (E_RNA)
where:
Base-Base interactions energy: -48.093
where: short stacking energy: -36.317
Base-Backbone interact. energy: 1.397
local terms energy: -61.351226
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -102.445393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445393 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.164
local terms energy: -57.178495
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -7.285
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: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -96.258344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.258344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.258344 (E_RNA)
where:
Base-Base interactions energy: -39.267
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.306
local terms energy: -56.685377
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -1.293
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: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -80.975138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.975138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.975138 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.336
local terms energy: -47.057710
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -95.027949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.027949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.027949 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -40.570
Base-Backbone interact. energy: 1.873
local terms energy: -54.504234
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -256.989761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.989761 (E_RNA)
where:
Base-Base interactions energy: -177.068
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.317
local terms energy: -79.604187
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -245.697586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.697586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.697586 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.336
local terms energy: -76.757137
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -233.042496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.042496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.042496 (E_RNA)
where:
Base-Base interactions energy: -156.113
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.473
local terms energy: -76.456411
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -14.602
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: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -235.324242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.324242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.324242 (E_RNA)
where:
Base-Base interactions energy: -156.928
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.496
local terms energy: -77.900416
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -202.725656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.725656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.725656 (E_RNA)
where:
Base-Base interactions energy: -130.737
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.530
local terms energy: -71.459124
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -95.662428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662428 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -36.702
Base-Backbone interact. energy: 0.634
local terms energy: -59.471134
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -4.705
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -94.034288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.034288 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -28.889
Base-Backbone interact. energy: -0.048
local terms energy: -52.726603
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -8.721
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: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -92.858902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858902 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.170
local terms energy: -62.670641
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -92.345741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.345741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.345741 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -38.584
Base-Backbone interact. energy: -0.026
local terms energy: -53.735212
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -2.348
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -80.565863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.565863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.565863 (E_RNA)
where:
Base-Base interactions energy: -32.434
where: short stacking energy: -32.155
Base-Backbone interact. energy: 0.161
local terms energy: -48.293155
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -5.883
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: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -249.899271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.899271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.899271 (E_RNA)
where:
Base-Base interactions energy: -169.201
where: short stacking energy: -76.169
Base-Backbone interact. energy: -0.655
local terms energy: -80.042617
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -8.134
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: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -259.406519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.406519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.406519 (E_RNA)
where:
Base-Base interactions energy: -176.223
where: short stacking energy: -75.828
Base-Backbone interact. energy: -0.239
local terms energy: -82.944809
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.153
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: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -243.780851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.780851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.780851 (E_RNA)
where:
Base-Base interactions energy: -165.985
where: short stacking energy: -83.140
Base-Backbone interact. energy: -0.362
local terms energy: -77.433934
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -219.127355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.127355 (E_RNA)
where:
Base-Base interactions energy: -142.786
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.060
local terms energy: -76.281372
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.787
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -199.278883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.278883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278883 (E_RNA)
where:
Base-Base interactions energy: -132.779
where: short stacking energy: -71.774
Base-Backbone interact. energy: -1.435
local terms energy: -65.065701
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -98.106295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.106295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.106295 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.132
local terms energy: -64.642639
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.250
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: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -110.552847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.552847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.552847 (E_RNA)
where:
Base-Base interactions energy: -50.469
where: short stacking energy: -26.906
Base-Backbone interact. energy: -1.003
local terms energy: -59.080078
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -93.370368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370368 (E_RNA)
where:
Base-Base interactions energy: -31.500
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.340
local terms energy: -61.530874
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -6.837
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: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -90.888518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.888518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.888518 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.440
local terms energy: -56.159639
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -0.111
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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -88.420514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420514 (E_RNA)
where:
Base-Base interactions energy: -30.996
where: short stacking energy: -25.494
Base-Backbone interact. energy: -0.725
local terms energy: -56.699568
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -254.638175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.638175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.638175 (E_RNA)
where:
Base-Base interactions energy: -176.324
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.424
local terms energy: -77.889981
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -243.853861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.853861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.853861 (E_RNA)
where:
Base-Base interactions energy: -169.140
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.653
local terms energy: -74.060422
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -10.434
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: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -244.062813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.062813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.062813 (E_RNA)
where:
Base-Base interactions energy: -164.254
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.370
local terms energy: -79.438237
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -211.504283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.504283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.504283 (E_RNA)
where:
Base-Base interactions energy: -139.806
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.642
local terms energy: -71.055687
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -213.103193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.103193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.103193 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.008
local terms energy: -75.961309
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -107.968055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.968055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.968055 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.166
local terms energy: -65.701656
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -96.737071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737071 (E_RNA)
where:
Base-Base interactions energy: -33.580
where: short stacking energy: -32.223
Base-Backbone interact. energy: -0.320
local terms energy: -62.837202
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.647
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: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -105.837448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.837448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.837448 (E_RNA)
where:
Base-Base interactions energy: -44.467
where: short stacking energy: -42.075
Base-Backbone interact. energy: -0.410
local terms energy: -60.960910
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -9.767
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: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -83.191963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191963 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -25.241
Base-Backbone interact. energy: -0.737
local terms energy: -43.675786
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -86.843374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.843374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.843374 (E_RNA)
where:
Base-Base interactions energy: -31.967
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.262
local terms energy: -54.615279
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -246.987007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.987007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.987007 (E_RNA)
where:
Base-Base interactions energy: -167.446
where: short stacking energy: -68.628
Base-Backbone interact. energy: -0.464
local terms energy: -79.076405
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -6.242
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -242.977177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.977177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.977177 (E_RNA)
where:
Base-Base interactions energy: -165.395
where: short stacking energy: -71.214
Base-Backbone interact. energy: -0.388
local terms energy: -77.194326
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -236.674608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.674608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.674608 (E_RNA)
where:
Base-Base interactions energy: -160.294
where: short stacking energy: -81.264
Base-Backbone interact. energy: -0.795
local terms energy: -75.585892
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -11.920
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: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -194.356112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.356112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.356112 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.485
local terms energy: -69.951103
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -205.888183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.888183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.888183 (E_RNA)
where:
Base-Base interactions energy: -124.505
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.899
local terms energy: -80.485072
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -114.684777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.684777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.684777 (E_RNA)
where:
Base-Base interactions energy: -51.666
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.024
local terms energy: -62.994420
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -10.069
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: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -103.902086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.902086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.902086 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.067
local terms energy: -64.019674
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -8.256
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -91.467621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.467621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.467621 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.145
local terms energy: -48.811163
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: 1.842
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.011888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011888 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.463
local terms energy: -60.015418
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -104.085069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.085069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.085069 (E_RNA)
where:
Base-Base interactions energy: -48.334
where: short stacking energy: -21.092
Base-Backbone interact. energy: -0.594
local terms energy: -55.157342
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -254.973635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.973635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.973635 (E_RNA)
where:
Base-Base interactions energy: -175.642
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.512
local terms energy: -78.819968
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -252.114662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.114662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.114662 (E_RNA)
where:
Base-Base interactions energy: -170.606
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.363
local terms energy: -81.145346
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -241.200960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.200960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.200960 (E_RNA)
where:
Base-Base interactions energy: -169.395
where: short stacking energy: -69.878
Base-Backbone interact. energy: 1.082
local terms energy: -72.888074
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -14.908
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: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -202.219250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.219250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.219250 (E_RNA)
where:
Base-Base interactions energy: -128.727
where: short stacking energy: -63.375
Base-Backbone interact. energy: -1.430
local terms energy: -72.062632
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.663
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -166.630377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.630377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.630377 (E_RNA)
where:
Base-Base interactions energy: -88.072
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.071
local terms energy: -78.487499
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.327
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -116.390513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.390513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.390513 (E_RNA)
where:
Base-Base interactions energy: -52.720
where: short stacking energy: -47.444
Base-Backbone interact. energy: -0.583
local terms energy: -63.087894
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -97.701398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.701398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.701398 (E_RNA)
where:
Base-Base interactions energy: -36.776
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.294
local terms energy: -60.631866
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -7.784
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: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -103.927353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.927353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.927353 (E_RNA)
where:
Base-Base interactions energy: -50.254
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.148
local terms energy: -53.525499
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -93.114457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.114457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.114457 (E_RNA)
where:
Base-Base interactions energy: -43.775
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.090
local terms energy: -49.248741
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -82.735834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.735834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.735834 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -35.172
Base-Backbone interact. energy: -0.178
local terms energy: -47.385919
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -256.501452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.501452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.501452 (E_RNA)
where:
Base-Base interactions energy: -179.075
where: short stacking energy: -81.295
Base-Backbone interact. energy: -1.753
local terms energy: -75.673734
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -17.087
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -251.680901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.680901 (E_RNA)
where:
Base-Base interactions energy: -170.996
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.876
local terms energy: -79.808665
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -238.034678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.034678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.034678 (E_RNA)
where:
Base-Base interactions energy: -170.375
where: short stacking energy: -63.873
Base-Backbone interact. energy: 0.674
local terms energy: -68.333167
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.950
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: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -206.925124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.925124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.925124 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.460
local terms energy: -77.138247
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.543
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: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -184.378821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.378821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.378821 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -56.761
Base-Backbone interact. energy: 0.693
local terms energy: -73.906472
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -15.625
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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -138.565489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.565489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.565489 (E_RNA)
where:
Base-Base interactions energy: -77.674
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.833
local terms energy: -60.058969
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -9.721
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -109.348303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.348303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.348303 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.242
local terms energy: -61.412098
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -100.319775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.319775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.319775 (E_RNA)
where:
Base-Base interactions energy: -43.900
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.025
local terms energy: -56.394775
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: 1.612
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -80.546045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546045 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.078
local terms energy: -47.008812
where:
bonds (distance) C4'-P energy: -7.804
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -76.669406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.669406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.669406 (E_RNA)
where:
Base-Base interactions energy: -26.403
where: short stacking energy: -25.609
Base-Backbone interact. energy: -0.388
local terms energy: -49.878525
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -250.817258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.817258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.817258 (E_RNA)
where:
Base-Base interactions energy: -167.669
where: short stacking energy: -76.701
Base-Backbone interact. energy: -1.484
local terms energy: -81.664642
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -247.779224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.779224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.779224 (E_RNA)
where:
Base-Base interactions energy: -164.943
where: short stacking energy: -78.737
Base-Backbone interact. energy: 0.976
local terms energy: -83.812472
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -240.443420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.443420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.443420 (E_RNA)
where:
Base-Base interactions energy: -172.509
where: short stacking energy: -67.556
Base-Backbone interact. energy: -1.055
local terms energy: -66.879452
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -205.189998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189998 (E_RNA)
where:
Base-Base interactions energy: -134.251
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.527
local terms energy: -70.411370
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.355
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: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -193.566626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.566626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.566626 (E_RNA)
where:
Base-Base interactions energy: -123.316
where: short stacking energy: -54.155
Base-Backbone interact. energy: 0.520
local terms energy: -70.770218
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -166.814059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.814059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.814059 (E_RNA)
where:
Base-Base interactions energy: -103.514
where: short stacking energy: -50.165
Base-Backbone interact. energy: -0.483
local terms energy: -62.816136
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -113.725092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.725092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.725092 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -43.834
Base-Backbone interact. energy: -0.698
local terms energy: -60.675596
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -95.540956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.540956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.540956 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.107
local terms energy: -63.656455
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -95.214067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214067 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.086
local terms energy: -58.915057
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -98.379152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.379152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.379152 (E_RNA)
where:
Base-Base interactions energy: -46.810
where: short stacking energy: -33.928
Base-Backbone interact. energy: 1.163
local terms energy: -52.731514
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -243.916568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.916568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.916568 (E_RNA)
where:
Base-Base interactions energy: -162.714
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.238
local terms energy: -80.964949
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -246.697137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.697137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.697137 (E_RNA)
where:
Base-Base interactions energy: -168.348
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.971
local terms energy: -77.378648
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -230.112144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112144 (E_RNA)
where:
Base-Base interactions energy: -157.090
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.170
local terms energy: -72.852310
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -14.110
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: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -181.585698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.585698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.585698 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -59.156
Base-Backbone interact. energy: -0.522
local terms energy: -62.271791
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -12.369
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: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -173.864611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.864611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.864611 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.106
local terms energy: -62.102797
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -15.598
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: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -182.597486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.597486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.597486 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.176
local terms energy: -65.016342
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -97.515124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.515124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.515124 (E_RNA)
where:
Base-Base interactions energy: -49.390
where: short stacking energy: -43.725
Base-Backbone interact. energy: -0.135
local terms energy: -47.990195
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -92.240835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240835 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.380
local terms energy: -56.712939
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -6.056
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: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -95.310967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.310967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.310967 (E_RNA)
where:
Base-Base interactions energy: -47.150
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.694
local terms energy: -47.467235
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: 4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -90.383618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.383618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.383618 (E_RNA)
where:
Base-Base interactions energy: -34.209
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.104
local terms energy: -56.070425
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.754
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: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -249.094633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.094633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.094633 (E_RNA)
where:
Base-Base interactions energy: -166.784
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.111
local terms energy: -82.198835
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -238.231863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.231863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.231863 (E_RNA)
where:
Base-Base interactions energy: -164.582
where: short stacking energy: -76.591
Base-Backbone interact. energy: 2.058
local terms energy: -75.707938
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -16.218
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -245.762248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.762248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.762248 (E_RNA)
where:
Base-Base interactions energy: -168.696
where: short stacking energy: -74.708
Base-Backbone interact. energy: -0.333
local terms energy: -76.733764
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -198.687605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687605 (E_RNA)
where:
Base-Base interactions energy: -123.868
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.233
local terms energy: -74.586225
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -166.997779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.997779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.997779 (E_RNA)
where:
Base-Base interactions energy: -97.231
where: short stacking energy: -51.386
Base-Backbone interact. energy: -0.221
local terms energy: -69.545594
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -115.929377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.929377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.929377 (E_RNA)
where:
Base-Base interactions energy: -48.601
where: short stacking energy: -48.601
Base-Backbone interact. energy: -0.103
local terms energy: -67.225738
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -9.282
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: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -161.008036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.008036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.008036 (E_RNA)
where:
Base-Base interactions energy: -88.423
where: short stacking energy: -50.620
Base-Backbone interact. energy: 0.364
local terms energy: -72.949345
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -93.907975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.907975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.907975 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.036
local terms energy: -54.119084
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -87.011274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011274 (E_RNA)
where:
Base-Base interactions energy: -32.556
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.243
local terms energy: -54.211613
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.652
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: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -90.550884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.550884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.550884 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.258
local terms energy: -54.983023
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -5.493
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: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -246.184955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.184955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.184955 (E_RNA)
where:
Base-Base interactions energy: -170.715
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.472
local terms energy: -74.998210
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -242.190667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.190667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.190667 (E_RNA)
where:
Base-Base interactions energy: -167.683
where: short stacking energy: -71.813
Base-Backbone interact. energy: -0.803
local terms energy: -73.704666
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -238.595380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.595380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.595380 (E_RNA)
where:
Base-Base interactions energy: -162.212
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.131
local terms energy: -76.252868
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -182.257408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.257408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.257408 (E_RNA)
where:
Base-Base interactions energy: -104.687
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.045
local terms energy: -77.525537
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -15.130
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: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -165.453604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.453604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.453604 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -39.068
Base-Backbone interact. energy: -0.714
local terms energy: -55.071266
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -6.943
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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -98.222887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.222887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.222887 (E_RNA)
where:
Base-Base interactions energy: -44.128
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.270
local terms energy: -53.825400
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -133.864064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.864064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.864064 (E_RNA)
where:
Base-Base interactions energy: -73.153
where: short stacking energy: -33.934
Base-Backbone interact. energy: -0.553
local terms energy: -60.158057
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -123.071643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.071643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.071643 (E_RNA)
where:
Base-Base interactions energy: -65.543
where: short stacking energy: -38.147
Base-Backbone interact. energy: -0.385
local terms energy: -57.143160
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.020
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: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -95.457010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.457010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.457010 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -33.771
Base-Backbone interact. energy: -0.358
local terms energy: -50.280456
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -10.780
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: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -83.336587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.336587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.336587 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -37.472
Base-Backbone interact. energy: -0.190
local terms energy: -45.674594
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -1.313
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: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -252.593593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.593593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.593593 (E_RNA)
where:
Base-Base interactions energy: -179.454
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.699
local terms energy: -72.441052
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -18.734
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: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -245.194358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.194358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.194358 (E_RNA)
where:
Base-Base interactions energy: -163.951
where: short stacking energy: -79.443
Base-Backbone interact. energy: -0.600
local terms energy: -80.643035
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -19.460
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: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -242.509714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.509714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.509714 (E_RNA)
where:
Base-Base interactions energy: -171.893
where: short stacking energy: -75.609
Base-Backbone interact. energy: -0.119
local terms energy: -70.497688
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -208.831875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831875 (E_RNA)
where:
Base-Base interactions energy: -131.629
where: short stacking energy: -62.125
Base-Backbone interact. energy: -0.118
local terms energy: -77.085221
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -18.845
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -175.198847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.198847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.198847 (E_RNA)
where:
Base-Base interactions energy: -106.004
where: short stacking energy: -49.574
Base-Backbone interact. energy: -0.441
local terms energy: -68.753677
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -117.036525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.036525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.036525 (E_RNA)
where:
Base-Base interactions energy: -50.318
where: short stacking energy: -50.405
Base-Backbone interact. energy: -1.037
local terms energy: -65.681817
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -138.951846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.951846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.951846 (E_RNA)
where:
Base-Base interactions energy: -78.606
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.193
local terms energy: -60.152661
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -12.109
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -104.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.630745 (E_RNA)
where:
Base-Base interactions energy: -67.638
where: short stacking energy: -33.527
Base-Backbone interact. energy: 1.065
local terms energy: -38.057356
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -92.485897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.485897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.485897 (E_RNA)
where:
Base-Base interactions energy: -46.717
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.357
local terms energy: -45.411646
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: 4.413
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: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -90.111480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111480 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -24.292
Base-Backbone interact. energy: -0.315
local terms energy: -52.258445
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -249.388571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.388571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.388571 (E_RNA)
where:
Base-Base interactions energy: -172.352
where: short stacking energy: -75.009
Base-Backbone interact. energy: -1.188
local terms energy: -75.848180
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -18.046
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: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -246.507772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.507772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.507772 (E_RNA)
where:
Base-Base interactions energy: -163.263
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.161
local terms energy: -83.083145
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -211.661277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.661277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661277 (E_RNA)
where:
Base-Base interactions energy: -132.915
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.035
local terms energy: -78.710766
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -221.543769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543769 (E_RNA)
where:
Base-Base interactions energy: -157.048
where: short stacking energy: -71.135
Base-Backbone interact. energy: -0.071
local terms energy: -64.424966
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -178.202543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.202543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202543 (E_RNA)
where:
Base-Base interactions energy: -109.576
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.370
local terms energy: -68.256185
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.191
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -119.787717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.787717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.787717 (E_RNA)
where:
Base-Base interactions energy: -56.131
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.234
local terms energy: -63.422565
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.184
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -118.732666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.732666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.732666 (E_RNA)
where:
Base-Base interactions energy: -66.418
where: short stacking energy: -43.207
Base-Backbone interact. energy: -0.140
local terms energy: -52.174940
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -95.306384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306384 (E_RNA)
where:
Base-Base interactions energy: -52.583
where: short stacking energy: -30.851
Base-Backbone interact. energy: -0.311
local terms energy: -42.412064
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: 0.797
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: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -91.983166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.983166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.983166 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -36.136
Base-Backbone interact. energy: 0.751
local terms energy: -52.176935
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -89.728498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.728498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.728498 (E_RNA)
where:
Base-Base interactions energy: -36.104
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.036
local terms energy: -53.589002
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -3.441
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -252.380202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.380202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.380202 (E_RNA)
where:
Base-Base interactions energy: -164.734
where: short stacking energy: -82.044
Base-Backbone interact. energy: -1.736
local terms energy: -85.909795
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -239.471318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.471318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.471318 (E_RNA)
where:
Base-Base interactions energy: -166.058
where: short stacking energy: -76.754
Base-Backbone interact. energy: -0.140
local terms energy: -73.273371
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -17.058
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: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -215.760092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.760092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.760092 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -73.489
Base-Backbone interact. energy: -0.073
local terms energy: -75.317788
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -194.936005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.936005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.936005 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.008
local terms energy: -75.372016
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -219.742231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.742231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.742231 (E_RNA)
where:
Base-Base interactions energy: -151.126
where: short stacking energy: -68.489
Base-Backbone interact. energy: -0.089
local terms energy: -68.527249
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -14.212
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: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -109.495889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.495889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.495889 (E_RNA)
where:
Base-Base interactions energy: -49.863
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.794
local terms energy: -58.839497
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -2.696
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -97.286897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.286897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.286897 (E_RNA)
where:
Base-Base interactions energy: -47.795
where: short stacking energy: -31.185
Base-Backbone interact. energy: 1.256
local terms energy: -50.747706
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -6.308
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: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -133.933095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.933095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.933095 (E_RNA)
where:
Base-Base interactions energy: -78.735
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.003
local terms energy: -55.194687
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -86.221852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.221852 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.124
local terms energy: -52.341878
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -85.001375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001375 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.129
local terms energy: -49.797200
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -1.293
tors. eta vs tors. theta energy: -2.862
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -259.160620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.160620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.160620 (E_RNA)
where:
Base-Base interactions energy: -175.468
where: short stacking energy: -84.229
Base-Backbone interact. energy: -0.714
local terms energy: -82.978945
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -235.959561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.959561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.959561 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.374
local terms energy: -76.959884
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -186.629675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.629675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.629675 (E_RNA)
where:
Base-Base interactions energy: -102.913
where: short stacking energy: -60.441
Base-Backbone interact. energy: -1.031
local terms energy: -82.685361
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -203.570836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.570836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570836 (E_RNA)
where:
Base-Base interactions energy: -129.770
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.033
local terms energy: -73.767605
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -232.658494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.658494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.658494 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -78.302
Base-Backbone interact. energy: -1.376
local terms energy: -76.028119
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -21.811
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: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -120.340437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.340437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.340437 (E_RNA)
where:
Base-Base interactions energy: -50.219
where: short stacking energy: -50.219
Base-Backbone interact. energy: -0.046
local terms energy: -70.075398
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -11.288
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: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -97.189478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.189478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.189478 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -34.761
Base-Backbone interact. energy: -0.626
local terms energy: -52.547949
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -2.158
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: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -121.879850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.879850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.879850 (E_RNA)
where:
Base-Base interactions energy: -60.770
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.171
local terms energy: -60.939085
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -7.305
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: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -90.660304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.660304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.660304 (E_RNA)
where:
Base-Base interactions energy: -41.772
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.024
local terms energy: -48.863846
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -5.965
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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -95.992736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.992736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.992736 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.052
local terms energy: -57.319308
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -10.318
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: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -256.146350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.146350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.146350 (E_RNA)
where:
Base-Base interactions energy: -180.520
where: short stacking energy: -83.285
Base-Backbone interact. energy: -0.643
local terms energy: -74.983929
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -233.436227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.436227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.436227 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -73.099
Base-Backbone interact. energy: -0.462
local terms energy: -78.226182
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -18.711
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: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -225.835117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835117 (E_RNA)
where:
Base-Base interactions energy: -141.866
where: short stacking energy: -81.391
Base-Backbone interact. energy: -0.765
local terms energy: -83.203369
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -231.837884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.837884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.837884 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.477
local terms energy: -71.201724
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -188.483601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.483601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.483601 (E_RNA)
where:
Base-Base interactions energy: -122.656
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.148
local terms energy: -65.679542
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -120.101828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.101828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.101828 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.410
local terms energy: -62.579558
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -9.461
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: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -113.821042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.821042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.821042 (E_RNA)
where:
Base-Base interactions energy: -45.264
where: short stacking energy: -43.018
Base-Backbone interact. energy: 0.389
local terms energy: -68.945520
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -11.201
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: 359
Temperature: 1.250000
Total energy: -108.970854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.970854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.970854 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.249
local terms energy: -60.472108
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -95.808600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.808600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.808600 (E_RNA)
where:
Base-Base interactions energy: -51.668
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.489
local terms energy: -43.651720
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -0.722
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: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -89.078928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.078928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.078928 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -27.427
Base-Backbone interact. energy: 0.994
local terms energy: -41.061628
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -6.598
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: 3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -240.617795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.617795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.617795 (E_RNA)
where:
Base-Base interactions energy: -162.425
where: short stacking energy: -70.841
Base-Backbone interact. energy: -1.060
local terms energy: -77.132882
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -246.127868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.127868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.127868 (E_RNA)
where:
Base-Base interactions energy: -167.299
where: short stacking energy: -80.537
Base-Backbone interact. energy: -0.370
local terms energy: -78.458754
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -22.178
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -237.850214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.850214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.850214 (E_RNA)
where:
Base-Base interactions energy: -154.335
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.521
local terms energy: -82.993827
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.394
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: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -215.272452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.272452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.272452 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.058
local terms energy: -82.452700
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -19.957
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -202.499973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.499973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.499973 (E_RNA)
where:
Base-Base interactions energy: -129.819
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.107
local terms energy: -72.573616
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -118.895278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895278 (E_RNA)
where:
Base-Base interactions energy: -61.066
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.104
local terms energy: -57.724446
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.245
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: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -112.551707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.551707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.551707 (E_RNA)
where:
Base-Base interactions energy: -48.024
where: short stacking energy: -45.849
Base-Backbone interact. energy: -0.158
local terms energy: -64.369780
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -11.489
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: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -92.714258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.714258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.714258 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -38.440
Base-Backbone interact. energy: -0.474
local terms energy: -51.076003
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -90.117264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.117264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.117264 (E_RNA)
where:
Base-Base interactions energy: -34.210
where: short stacking energy: -34.210
Base-Backbone interact. energy: 0.200
local terms energy: -56.107202
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -12.670
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: 360
Temperature: 1.350000
Total energy: -80.232459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.232459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.232459 (E_RNA)
where:
Base-Base interactions energy: -25.622
where: short stacking energy: -23.389
Base-Backbone interact. energy: -0.319
local terms energy: -54.291741
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -232.067261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.067261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.067261 (E_RNA)
where:
Base-Base interactions energy: -158.856
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.505
local terms energy: -72.706064
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -245.297413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.297413 (E_RNA)
where:
Base-Base interactions energy: -171.080
where: short stacking energy: -72.701
Base-Backbone interact. energy: -0.651
local terms energy: -73.566522
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -245.797112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.797112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.797112 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -75.062
Base-Backbone interact. energy: -0.207
local terms energy: -83.525185
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -218.661901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.661901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.661901 (E_RNA)
where:
Base-Base interactions energy: -137.666
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.031
local terms energy: -80.964382
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -193.125142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.125142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.125142 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.003
local terms energy: -75.363781
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -114.333604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.333604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.333604 (E_RNA)
where:
Base-Base interactions energy: -53.548
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.086
local terms energy: -60.698816
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -97.599639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.599639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.599639 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -39.188
Base-Backbone interact. energy: -0.163
local terms energy: -54.701079
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -102.346378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.346378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.346378 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.323
local terms energy: -54.145882
where:
bonds (distance) C4'-P energy: -6.979
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -11.229
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: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -87.789283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789283 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.010
local terms energy: -57.116223
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -88.148774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148774 (E_RNA)
where:
Base-Base interactions energy: -36.683
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.477
local terms energy: -50.989532
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -256.952688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.952688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.952688 (E_RNA)
where:
Base-Base interactions energy: -174.262
where: short stacking energy: -78.843
Base-Backbone interact. energy: -0.273
local terms energy: -82.416950
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -241.106546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.106546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.106546 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.370
local terms energy: -73.592839
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -243.211440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.211440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.211440 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -77.721
Base-Backbone interact. energy: -0.843
local terms energy: -80.543047
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -203.640805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.640805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.640805 (E_RNA)
where:
Base-Base interactions energy: -122.206
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.002
local terms energy: -81.432905
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.835
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: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -184.161927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.161927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.161927 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.264
local terms energy: -62.161273
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -112.616674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.616674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.616674 (E_RNA)
where:
Base-Base interactions energy: -56.114
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.363
local terms energy: -56.140321
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -102.730402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.730402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.730402 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.237
local terms energy: -61.235761
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -8.480
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: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -98.239545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239545 (E_RNA)
where:
Base-Base interactions energy: -36.471
where: short stacking energy: -33.346
Base-Backbone interact. energy: -1.224
local terms energy: -60.544720
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -8.827
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: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -88.609720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609720 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.269
local terms energy: -52.869114
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.206
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: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -95.966168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.966168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.966168 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -31.496
Base-Backbone interact. energy: -0.681
local terms energy: -63.008499
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -247.476521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.476521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.476521 (E_RNA)
where:
Base-Base interactions energy: -164.824
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.858
local terms energy: -81.794511
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -22.207
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: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -248.304551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.304551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.304551 (E_RNA)
where:
Base-Base interactions energy: -163.048
where: short stacking energy: -68.449
Base-Backbone interact. energy: -0.301
local terms energy: -84.955825
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -224.514384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.514384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514384 (E_RNA)
where:
Base-Base interactions energy: -143.757
where: short stacking energy: -63.145
Base-Backbone interact. energy: -1.279
local terms energy: -79.479308
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -11.492
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: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -195.251677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.251677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.251677 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.134
local terms energy: -67.126406
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -193.652473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652473 (E_RNA)
where:
Base-Base interactions energy: -118.574
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.186
local terms energy: -74.893255
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -118.203636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.203636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.203636 (E_RNA)
where:
Base-Base interactions energy: -50.781
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.055
local terms energy: -67.367217
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -7.017
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: 363
Temperature: 1.200000
Total energy: -123.510194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.510194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.510194 (E_RNA)
where:
Base-Base interactions energy: -56.573
where: short stacking energy: -57.145
Base-Backbone interact. energy: -0.107
local terms energy: -66.830131
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -9.652
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -97.994984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.994984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.994984 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -36.989
Base-Backbone interact. energy: -0.254
local terms energy: -59.593919
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.467
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: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -102.258235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.258235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.258235 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -41.321
Base-Backbone interact. energy: -0.069
local terms energy: -59.846813
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -81.813021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.813021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.813021 (E_RNA)
where:
Base-Base interactions energy: -26.287
where: short stacking energy: -20.730
Base-Backbone interact. energy: 0.763
local terms energy: -56.288859
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -1.201
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -259.213327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213327 (E_RNA)
where:
Base-Base interactions energy: -176.801
where: short stacking energy: -81.108
Base-Backbone interact. energy: 0.369
local terms energy: -82.781286
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -238.717568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.717568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.717568 (E_RNA)
where:
Base-Base interactions energy: -158.550
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.464
local terms energy: -79.703702
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -232.002311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002311 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -72.936
Base-Backbone interact. energy: -1.192
local terms energy: -79.702674
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -193.216081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.216081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.216081 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -58.257
Base-Backbone interact. energy: -0.376
local terms energy: -76.100659
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -188.940202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.940202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.940202 (E_RNA)
where:
Base-Base interactions energy: -107.954
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.995
local terms energy: -79.990851
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -110.714992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714992 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.240
local terms energy: -58.623148
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -119.018076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.018076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.018076 (E_RNA)
where:
Base-Base interactions energy: -61.923
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.159
local terms energy: -56.936007
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.334078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334078 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -33.828
Base-Backbone interact. energy: -0.073
local terms energy: -54.433050
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -6.309
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: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -97.847227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.847227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.847227 (E_RNA)
where:
Base-Base interactions energy: -43.217
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.230
local terms energy: -54.400238
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -6.413
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: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -79.160968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.160968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.160968 (E_RNA)
where:
Base-Base interactions energy: -31.091
where: short stacking energy: -28.636
Base-Backbone interact. energy: 2.450
local terms energy: -50.520051
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: 3.100
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: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -253.329996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.329996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.329996 (E_RNA)
where:
Base-Base interactions energy: -174.779
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.430
local terms energy: -78.120356
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -16.846
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: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -241.567498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.567498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.567498 (E_RNA)
where:
Base-Base interactions energy: -166.250
where: short stacking energy: -69.136
Base-Backbone interact. energy: -1.150
local terms energy: -74.167648
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -241.957003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.957003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.957003 (E_RNA)
where:
Base-Base interactions energy: -165.043
where: short stacking energy: -77.050
Base-Backbone interact. energy: -0.613
local terms energy: -76.300264
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -178.584717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584717 (E_RNA)
where:
Base-Base interactions energy: -108.137
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.138
local terms energy: -70.309024
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.477
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -194.298747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.298747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.298747 (E_RNA)
where:
Base-Base interactions energy: -123.207
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.031
local terms energy: -71.060536
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -103.718118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.718118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.718118 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.145
local terms energy: -65.861636
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -15.211
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: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -109.349774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.349774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.349774 (E_RNA)
where:
Base-Base interactions energy: -54.357
where: short stacking energy: -44.259
Base-Backbone interact. energy: -0.499
local terms energy: -54.494094
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -7.415
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -82.069845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069845 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.100
local terms energy: -50.053414
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -3.411
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -89.187471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.187471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.187471 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -36.581
Base-Backbone interact. energy: -0.101
local terms energy: -51.995413
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -81.414254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.414254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.414254 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.721
local terms energy: -47.567669
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: 2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -244.609989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.609989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.609989 (E_RNA)
where:
Base-Base interactions energy: -170.803
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.423
local terms energy: -73.384020
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -245.434572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.434572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.434572 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -76.967
Base-Backbone interact. energy: -0.467
local terms energy: -75.363186
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -247.118475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.118475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.118475 (E_RNA)
where:
Base-Base interactions energy: -170.483
where: short stacking energy: -77.817
Base-Backbone interact. energy: 0.184
local terms energy: -76.818721
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -193.209750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.209750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.209750 (E_RNA)
where:
Base-Base interactions energy: -111.558
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.128
local terms energy: -81.524374
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -7.989
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: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -203.688083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.688083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.688083 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.129
local terms energy: -60.732049
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -14.324
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: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -111.839884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.839884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.839884 (E_RNA)
where:
Base-Base interactions energy: -49.842
where: short stacking energy: -42.171
Base-Backbone interact. energy: -0.703
local terms energy: -61.294311
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -7.466
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -106.543780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.543780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.543780 (E_RNA)
where:
Base-Base interactions energy: -52.688
where: short stacking energy: -44.452
Base-Backbone interact. energy: 1.482
local terms energy: -55.337090
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -106.265752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265752 (E_RNA)
where:
Base-Base interactions energy: -46.481
where: short stacking energy: -42.688
Base-Backbone interact. energy: -0.209
local terms energy: -59.575180
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -88.158999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.158999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.158999 (E_RNA)
where:
Base-Base interactions energy: -28.841
where: short stacking energy: -20.057
Base-Backbone interact. energy: -0.207
local terms energy: -59.110997
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.520236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.520236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.520236 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.171
local terms energy: -49.770651
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -249.906549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.906549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.906549 (E_RNA)
where:
Base-Base interactions energy: -169.257
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.283
local terms energy: -80.366416
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -249.580543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.580543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.580543 (E_RNA)
where:
Base-Base interactions energy: -162.089
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.172
local terms energy: -87.319662
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -246.244746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.244746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.244746 (E_RNA)
where:
Base-Base interactions energy: -169.316
where: short stacking energy: -72.714
Base-Backbone interact. energy: 0.020
local terms energy: -76.948282
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -228.241039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.241039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.241039 (E_RNA)
where:
Base-Base interactions energy: -154.329
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.652
local terms energy: -73.259162
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -171.873471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.873471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.873471 (E_RNA)
where:
Base-Base interactions energy: -105.872
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.170
local terms energy: -65.831746
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -123.077993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.077993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.077993 (E_RNA)
where:
Base-Base interactions energy: -57.761
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.309
local terms energy: -65.007355
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -7.967
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: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -109.266083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.266083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.266083 (E_RNA)
where:
Base-Base interactions energy: -47.257
where: short stacking energy: -47.257
Base-Backbone interact. energy: -0.258
local terms energy: -61.751164
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -86.271692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271692 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.230
local terms energy: -46.429084
where:
bonds (distance) C4'-P energy: -5.652
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -89.886963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.886963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.886963 (E_RNA)
where:
Base-Base interactions energy: -28.675
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.189
local terms energy: -61.022489
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -4.516
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: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -84.252685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252685 (E_RNA)
where:
Base-Base interactions energy: -40.784
where: short stacking energy: -40.784
Base-Backbone interact. energy: 0.066
local terms energy: -43.534319
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -248.668337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.668337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.668337 (E_RNA)
where:
Base-Base interactions energy: -171.370
where: short stacking energy: -88.118
Base-Backbone interact. energy: -0.675
local terms energy: -76.623433
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -249.072178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.072178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.072178 (E_RNA)
where:
Base-Base interactions energy: -165.972
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.317
local terms energy: -82.783200
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -244.306340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.306340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.306340 (E_RNA)
where:
Base-Base interactions energy: -165.919
where: short stacking energy: -68.144
Base-Backbone interact. energy: -0.620
local terms energy: -77.767306
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -241.884162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.884162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.884162 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -72.810
Base-Backbone interact. energy: -0.469
local terms energy: -75.923951
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -170.120638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.120638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.120638 (E_RNA)
where:
Base-Base interactions energy: -105.109
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.042
local terms energy: -64.969384
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -113.787591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.787591 (E_RNA)
where:
Base-Base interactions energy: -48.446
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.067
local terms energy: -65.274635
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -114.885777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.885777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.885777 (E_RNA)
where:
Base-Base interactions energy: -56.180
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.019
local terms energy: -58.687162
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -12.655
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: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -96.999543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.999543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.999543 (E_RNA)
where:
Base-Base interactions energy: -48.707
where: short stacking energy: -48.707
Base-Backbone interact. energy: -0.011
local terms energy: -48.281624
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -8.173
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: 0.335
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -89.071528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071528 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -38.928
Base-Backbone interact. energy: -0.013
local terms energy: -50.131181
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -0.853
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: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -85.464034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464034 (E_RNA)
where:
Base-Base interactions energy: -33.180
where: short stacking energy: -19.628
Base-Backbone interact. energy: 0.588
local terms energy: -52.872805
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -8.652
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -2.882
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -250.813515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.813515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.813515 (E_RNA)
where:
Base-Base interactions energy: -169.074
where: short stacking energy: -75.734
Base-Backbone interact. energy: -1.082
local terms energy: -80.656684
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -249.542600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.542600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.542600 (E_RNA)
where:
Base-Base interactions energy: -176.483
where: short stacking energy: -76.273
Base-Backbone interact. energy: 0.415
local terms energy: -73.474250
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -18.634
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -238.783034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.783034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.783034 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -71.280
Base-Backbone interact. energy: -0.283
local terms energy: -74.201205
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -222.413805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.413805 (E_RNA)
where:
Base-Base interactions energy: -152.441
where: short stacking energy: -72.945
Base-Backbone interact. energy: 0.685
local terms energy: -70.657031
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -181.651714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.651714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.651714 (E_RNA)
where:
Base-Base interactions energy: -113.121
where: short stacking energy: -51.232
Base-Backbone interact. energy: -0.070
local terms energy: -68.460249
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -106.932920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.932920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.932920 (E_RNA)
where:
Base-Base interactions energy: -57.276
where: short stacking energy: -57.276
Base-Backbone interact. energy: 0.223
local terms energy: -49.879920
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -5.391
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: 369
Temperature: 1.200000
Total energy: -108.295814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.295814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.295814 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.146
local terms energy: -60.826766
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -84.555660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555660 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -30.543
Base-Backbone interact. energy: 2.733
local terms energy: -56.532746
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -85.155049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155049 (E_RNA)
where:
Base-Base interactions energy: -40.965
where: short stacking energy: -36.949
Base-Backbone interact. energy: -0.211
local terms energy: -43.978992
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -3.101
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: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -88.997725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997725 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -39.175
Base-Backbone interact. energy: -0.017
local terms energy: -48.646506
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -242.201479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.201479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.201479 (E_RNA)
where:
Base-Base interactions energy: -164.445
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.824
local terms energy: -76.931730
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -21.021
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: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -249.862399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.862399 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.485
local terms energy: -89.303964
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.707
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: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -243.789736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.789736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.789736 (E_RNA)
where:
Base-Base interactions energy: -178.149
where: short stacking energy: -81.738
Base-Backbone interact. energy: 0.238
local terms energy: -65.877940
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -234.741879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.741879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.741879 (E_RNA)
where:
Base-Base interactions energy: -161.471
where: short stacking energy: -81.088
Base-Backbone interact. energy: -0.523
local terms energy: -72.747795
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -186.789580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.789580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.789580 (E_RNA)
where:
Base-Base interactions energy: -113.405
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.408
local terms energy: -72.976599
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -110.223145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.223145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.223145 (E_RNA)
where:
Base-Base interactions energy: -39.686
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.078
local terms energy: -70.459521
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -108.071732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.071732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.071732 (E_RNA)
where:
Base-Base interactions energy: -55.130
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.324
local terms energy: -52.617489
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -1.987
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: 370
Temperature: 1.250000
Total energy: -96.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.758007 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -30.585
Base-Backbone interact. energy: -0.218
local terms energy: -65.954637
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.333
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: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -86.593737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593737 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.013
local terms energy: -50.506277
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -92.031566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.031566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.031566 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -30.709
Base-Backbone interact. energy: -0.096
local terms energy: -60.019355
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -264.335300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.335300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.335300 (E_RNA)
where:
Base-Base interactions energy: -176.737
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.244
local terms energy: -87.354700
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -13.797
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: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -245.161928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.161928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.161928 (E_RNA)
where:
Base-Base interactions energy: -166.706
where: short stacking energy: -76.308
Base-Backbone interact. energy: -1.080
local terms energy: -77.376012
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -243.135218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.135218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.135218 (E_RNA)
where:
Base-Base interactions energy: -170.160
where: short stacking energy: -68.038
Base-Backbone interact. energy: 0.206
local terms energy: -73.181477
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -237.911952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.911952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.911952 (E_RNA)
where:
Base-Base interactions energy: -162.507
where: short stacking energy: -78.629
Base-Backbone interact. energy: -0.349
local terms energy: -75.056101
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -184.690448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.690448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.690448 (E_RNA)
where:
Base-Base interactions energy: -108.673
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.385
local terms energy: -75.632090
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -115.833216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.833216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.833216 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.051
local terms energy: -72.075192
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -97.685621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.685621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.685621 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.064
local terms energy: -60.450557
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -93.756461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756461 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.887
local terms energy: -58.886183
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -4.684
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: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -81.158008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.158008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.158008 (E_RNA)
where:
Base-Base interactions energy: -35.576
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.775
local terms energy: -44.807395
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -94.911980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911980 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.929
local terms energy: -54.347626
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -251.787956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.787956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.787956 (E_RNA)
where:
Base-Base interactions energy: -172.226
where: short stacking energy: -78.154
Base-Backbone interact. energy: -1.638
local terms energy: -77.923106
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.491
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: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -247.111688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.111688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.111688 (E_RNA)
where:
Base-Base interactions energy: -167.069
where: short stacking energy: -68.797
Base-Backbone interact. energy: 0.260
local terms energy: -80.302206
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -251.186869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.186869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.186869 (E_RNA)
where:
Base-Base interactions energy: -173.511
where: short stacking energy: -79.333
Base-Backbone interact. energy: -0.115
local terms energy: -77.561167
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -239.382805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.382805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.382805 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.787
local terms energy: -68.744631
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -6.098
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.282
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: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -173.979688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979688 (E_RNA)
where:
Base-Base interactions energy: -104.918
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.083
local terms energy: -68.979397
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -92.000079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.000079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.000079 (E_RNA)
where:
Base-Base interactions energy: -32.958
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.174
local terms energy: -58.868718
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -90.619952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619952 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -30.059
Base-Backbone interact. energy: 0.094
local terms energy: -57.199312
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -95.548033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.548033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.548033 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -32.095
Base-Backbone interact. energy: -0.099
local terms energy: -56.499002
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -91.404825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404825 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -28.293
Base-Backbone interact. energy: -0.033
local terms energy: -54.737704
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -9.366
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: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -88.398489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.398489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.398489 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -31.608
Base-Backbone interact. energy: -0.076
local terms energy: -56.342883
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -249.195787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.195787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.195787 (E_RNA)
where:
Base-Base interactions energy: -167.031
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.610
local terms energy: -81.554089
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.765
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: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -253.001228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.001228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.001228 (E_RNA)
where:
Base-Base interactions energy: -170.531
where: short stacking energy: -69.859
Base-Backbone interact. energy: -1.299
local terms energy: -81.171630
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -250.786626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.786626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.786626 (E_RNA)
where:
Base-Base interactions energy: -168.424
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.848
local terms energy: -81.515183
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -19.988
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -237.188096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.188096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.188096 (E_RNA)
where:
Base-Base interactions energy: -158.989
where: short stacking energy: -71.022
Base-Backbone interact. energy: 0.646
local terms energy: -78.845664
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -16.642
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: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -225.551021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.551021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551021 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.434
local terms energy: -82.819262
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -20.148
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: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -95.434564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.434564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.434564 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.845
local terms energy: -48.881956
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -105.188163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.188163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.188163 (E_RNA)
where:
Base-Base interactions energy: -49.298
where: short stacking energy: -40.043
Base-Backbone interact. energy: -0.719
local terms energy: -55.171336
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -96.753185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753185 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -37.708
Base-Backbone interact. energy: -0.094
local terms energy: -58.773599
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -87.846140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.846140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.846140 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.088
local terms energy: -46.853776
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -81.182155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.182155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.182155 (E_RNA)
where:
Base-Base interactions energy: -24.180
where: short stacking energy: -21.017
Base-Backbone interact. energy: -0.734
local terms energy: -56.268323
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -7.577
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: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -258.704144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.704144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.704144 (E_RNA)
where:
Base-Base interactions energy: -183.696
where: short stacking energy: -74.746
Base-Backbone interact. energy: 0.411
local terms energy: -75.419706
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.507
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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -251.116120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.116120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.116120 (E_RNA)
where:
Base-Base interactions energy: -172.182
where: short stacking energy: -75.551
Base-Backbone interact. energy: -1.600
local terms energy: -77.333736
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -250.641124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.641124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.641124 (E_RNA)
where:
Base-Base interactions energy: -173.249
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.530
local terms energy: -76.862114
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -235.713124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.713124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.713124 (E_RNA)
where:
Base-Base interactions energy: -158.010
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.129
local terms energy: -77.574536
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -182.922520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.922520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.922520 (E_RNA)
where:
Base-Base interactions energy: -109.815
where: short stacking energy: -60.085
Base-Backbone interact. energy: -0.108
local terms energy: -72.999719
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -104.920717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.920717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.920717 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.044
local terms energy: -68.282908
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -107.856082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.856082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.856082 (E_RNA)
where:
Base-Base interactions energy: -46.735
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.156
local terms energy: -60.964735
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -88.117654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117654 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.097
local terms energy: -57.816657
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -11.880
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: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -85.222804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222804 (E_RNA)
where:
Base-Base interactions energy: -25.173
where: short stacking energy: -21.828
Base-Backbone interact. energy: 0.373
local terms energy: -60.422782
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -102.613444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.613444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.613444 (E_RNA)
where:
Base-Base interactions energy: -50.266
where: short stacking energy: -28.489
Base-Backbone interact. energy: -1.714
local terms energy: -50.632954
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -253.312170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.312170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.312170 (E_RNA)
where:
Base-Base interactions energy: -172.738
where: short stacking energy: -74.082
Base-Backbone interact. energy: -0.629
local terms energy: -79.945018
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -258.415664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.415664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.415664 (E_RNA)
where:
Base-Base interactions energy: -171.088
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.488
local terms energy: -86.839607
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -11.328
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: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -241.601193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.601193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.601193 (E_RNA)
where:
Base-Base interactions energy: -162.171
where: short stacking energy: -78.786
Base-Backbone interact. energy: -0.567
local terms energy: -78.862699
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -237.026275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.026275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.026275 (E_RNA)
where:
Base-Base interactions energy: -169.616
where: short stacking energy: -62.910
Base-Backbone interact. energy: -1.756
local terms energy: -65.654567
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -7.643
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: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -183.916071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.916071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.916071 (E_RNA)
where:
Base-Base interactions energy: -106.237
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.002
local terms energy: -77.677495
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -109.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381956 (E_RNA)
where:
Base-Base interactions energy: -47.386
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.149
local terms energy: -61.847615
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -117.170861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.170861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.170861 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.886
local terms energy: -63.238643
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -10.613
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -106.145196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.145196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.145196 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -37.049
Base-Backbone interact. energy: -0.102
local terms energy: -59.358672
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -93.704687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.704687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.704687 (E_RNA)
where:
Base-Base interactions energy: -41.966
where: short stacking energy: -30.204
Base-Backbone interact. energy: -0.386
local terms energy: -51.352855
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: 0.201
tors. eta vs tors. theta energy: -6.632
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: 375
Temperature: 1.350000
Total energy: -84.168443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168443 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.962
Base-Backbone interact. energy: 0.718
local terms energy: -50.350557
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -251.484967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.484967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.484967 (E_RNA)
where:
Base-Base interactions energy: -170.544
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.221
local terms energy: -80.720733
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -17.390
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: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -247.096436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.096436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.096436 (E_RNA)
where:
Base-Base interactions energy: -173.392
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.564
local terms energy: -73.140722
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -17.849
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: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -237.632860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.632860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.632860 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.445
local terms energy: -80.490347
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -241.634217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.634217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.634217 (E_RNA)
where:
Base-Base interactions energy: -161.728
where: short stacking energy: -71.410
Base-Backbone interact. energy: -0.584
local terms energy: -79.321650
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -189.417821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.417821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.417821 (E_RNA)
where:
Base-Base interactions energy: -120.462
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.034
local terms energy: -68.921809
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -102.798953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.798953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.798953 (E_RNA)
where:
Base-Base interactions energy: -41.443
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.126
local terms energy: -61.230189
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -3.405
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -107.055969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.055969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.055969 (E_RNA)
where:
Base-Base interactions energy: -43.115
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.181
local terms energy: -63.759621
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -109.348891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.348891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.348891 (E_RNA)
where:
Base-Base interactions energy: -45.619
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.829
local terms energy: -62.900144
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -105.270181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.270181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.270181 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -42.220
Base-Backbone interact. energy: -0.022
local terms energy: -59.729734
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -86.615329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.615329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.615329 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.238
local terms energy: -48.533596
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: 1.475
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -249.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.910285 (E_RNA)
where:
Base-Base interactions energy: -176.247
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.490
local terms energy: -73.172839
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -234.614425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.614425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.614425 (E_RNA)
where:
Base-Base interactions energy: -153.312
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.923
local terms energy: -80.378467
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -237.224941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.224941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.224941 (E_RNA)
where:
Base-Base interactions energy: -159.422
where: short stacking energy: -76.858
Base-Backbone interact. energy: -0.390
local terms energy: -77.412967
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -20.569
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -239.085538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.085538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.085538 (E_RNA)
where:
Base-Base interactions energy: -163.759
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.469
local terms energy: -74.857176
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -18.064
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: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -207.250123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.250123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.250123 (E_RNA)
where:
Base-Base interactions energy: -137.914
where: short stacking energy: -69.005
Base-Backbone interact. energy: -0.571
local terms energy: -68.764961
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -119.944899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.944899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.944899 (E_RNA)
where:
Base-Base interactions energy: -53.888
where: short stacking energy: -42.150
Base-Backbone interact. energy: -0.243
local terms energy: -65.814145
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -105.098032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.098032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.098032 (E_RNA)
where:
Base-Base interactions energy: -42.894
where: short stacking energy: -42.883
Base-Backbone interact. energy: -0.571
local terms energy: -61.632526
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -98.884233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884233 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -36.995
Base-Backbone interact. energy: 0.449
local terms energy: -62.337701
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -90.212828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.212828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.212828 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.562
local terms energy: -57.770484
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -87.311946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311946 (E_RNA)
where:
Base-Base interactions energy: -29.290
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.772
local terms energy: -57.250184
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -261.747575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.747575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.747575 (E_RNA)
where:
Base-Base interactions energy: -180.852
where: short stacking energy: -78.956
Base-Backbone interact. energy: -0.359
local terms energy: -80.536225
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -237.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.335040 (E_RNA)
where:
Base-Base interactions energy: -159.705
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.368
local terms energy: -77.261870
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -19.877
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: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -235.254182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.254182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.254182 (E_RNA)
where:
Base-Base interactions energy: -161.347
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.209
local terms energy: -73.697358
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -229.834379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.834379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.834379 (E_RNA)
where:
Base-Base interactions energy: -164.602
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.157
local terms energy: -65.075655
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -14.141
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -130.222892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.222892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.222892 (E_RNA)
where:
Base-Base interactions energy: -62.267
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.001
local terms energy: -67.954360
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -190.279143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.279143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.279143 (E_RNA)
where:
Base-Base interactions energy: -125.709
where: short stacking energy: -48.038
Base-Backbone interact. energy: -1.597
local terms energy: -62.972635
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -10.046
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: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -99.344373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.344373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.344373 (E_RNA)
where:
Base-Base interactions energy: -45.199
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.215
local terms energy: -53.930623
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -113.728880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.728880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.728880 (E_RNA)
where:
Base-Base interactions energy: -48.089
where: short stacking energy: -37.907
Base-Backbone interact. energy: -0.111
local terms energy: -65.528560
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -3.478
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: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -85.882218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.882218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.882218 (E_RNA)
where:
Base-Base interactions energy: -27.058
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.153
local terms energy: -58.671676
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -86.953434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.953434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.953434 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.085
local terms energy: -58.086580
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -5.318
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -252.147180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.147180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.147180 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.109
local terms energy: -80.886473
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -11.833
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -250.414330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.414330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.414330 (E_RNA)
where:
Base-Base interactions energy: -169.164
where: short stacking energy: -74.245
Base-Backbone interact. energy: -0.122
local terms energy: -81.127765
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -16.404
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -246.566871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.566871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.566871 (E_RNA)
where:
Base-Base interactions energy: -175.813
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.139
local terms energy: -70.614390
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -232.576773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576773 (E_RNA)
where:
Base-Base interactions energy: -155.418
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.127
local terms energy: -77.031715
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -108.648509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.648509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.648509 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -42.389
Base-Backbone interact. energy: -0.127
local terms energy: -66.132807
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -183.409649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.409649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.409649 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -69.653
Base-Backbone interact. energy: -0.375
local terms energy: -67.149928
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -98.420767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.420767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.420767 (E_RNA)
where:
Base-Base interactions energy: -40.348
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.053
local terms energy: -58.019633
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -92.632232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.632232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.632232 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -31.007
Base-Backbone interact. energy: -1.037
local terms energy: -60.219034
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -89.462390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462390 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.180
local terms energy: -55.294673
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -97.638334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.638334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.638334 (E_RNA)
where:
Base-Base interactions energy: -41.484
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.237
local terms energy: -55.917969
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -5.444
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: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -243.222145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.222145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.222145 (E_RNA)
where:
Base-Base interactions energy: -167.214
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.325
local terms energy: -75.683579
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -251.189353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.189353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.189353 (E_RNA)
where:
Base-Base interactions energy: -168.572
where: short stacking energy: -66.710
Base-Backbone interact. energy: -0.192
local terms energy: -82.425062
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -16.230
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: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -243.832330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.832330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.832330 (E_RNA)
where:
Base-Base interactions energy: -166.921
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.201
local terms energy: -76.710249
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -227.605145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.605145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.605145 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.971
local terms energy: -70.857438
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -173.811606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.811606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.811606 (E_RNA)
where:
Base-Base interactions energy: -101.353
where: short stacking energy: -46.119
Base-Backbone interact. energy: -1.270
local terms energy: -71.189199
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -113.019242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.019242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.019242 (E_RNA)
where:
Base-Base interactions energy: -49.237
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.003
local terms energy: -63.779618
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -11.973
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: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -102.234685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.234685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.234685 (E_RNA)
where:
Base-Base interactions energy: -49.338
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.040
local terms energy: -52.857274
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -4.704
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: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -88.554086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554086 (E_RNA)
where:
Base-Base interactions energy: -28.906
where: short stacking energy: -18.871
Base-Backbone interact. energy: -0.380
local terms energy: -59.267267
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -0.633
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: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -97.925316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.925316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.925316 (E_RNA)
where:
Base-Base interactions energy: -45.370
where: short stacking energy: -45.370
Base-Backbone interact. energy: -0.224
local terms energy: -52.330821
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -4.269
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: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -88.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.461130 (E_RNA)
where:
Base-Base interactions energy: -34.165
where: short stacking energy: -34.165
Base-Backbone interact. energy: -1.077
local terms energy: -53.219844
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -256.447500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.447500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.447500 (E_RNA)
where:
Base-Base interactions energy: -175.849
where: short stacking energy: -74.821
Base-Backbone interact. energy: 0.303
local terms energy: -80.900820
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -240.033848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.033848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.033848 (E_RNA)
where:
Base-Base interactions energy: -165.695
where: short stacking energy: -74.402
Base-Backbone interact. energy: 0.233
local terms energy: -74.571854
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -241.058331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.058331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.058331 (E_RNA)
where:
Base-Base interactions energy: -162.619
where: short stacking energy: -73.036
Base-Backbone interact. energy: -0.177
local terms energy: -78.261606
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -240.790557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.790557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.790557 (E_RNA)
where:
Base-Base interactions energy: -166.693
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.627
local terms energy: -73.471235
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -180.176926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.176926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.176926 (E_RNA)
where:
Base-Base interactions energy: -107.874
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.637
local terms energy: -71.666302
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -10.338
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: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -124.612815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.612815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.612815 (E_RNA)
where:
Base-Base interactions energy: -67.921
where: short stacking energy: -35.648
Base-Backbone interact. energy: -1.921
local terms energy: -54.770875
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -104.849165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.849165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.849165 (E_RNA)
where:
Base-Base interactions energy: -43.663
where: short stacking energy: -34.459
Base-Backbone interact. energy: 0.115
local terms energy: -61.300647
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -100.478558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.478558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.478558 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.130
local terms energy: -57.404755
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.412721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.412721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.412721 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.871
local terms energy: -46.558942
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: 1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -85.466834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466834 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.033
local terms energy: -51.859000
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -7.841
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -253.110206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.110206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.110206 (E_RNA)
where:
Base-Base interactions energy: -166.167
where: short stacking energy: -74.601
Base-Backbone interact. energy: -0.324
local terms energy: -86.619193
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -19.574
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -244.916904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.916904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.916904 (E_RNA)
where:
Base-Base interactions energy: -165.277
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.576
local terms energy: -79.063140
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -238.471839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.471839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.471839 (E_RNA)
where:
Base-Base interactions energy: -152.501
where: short stacking energy: -77.486
Base-Backbone interact. energy: -0.656
local terms energy: -85.315214
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -228.575846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.575846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.575846 (E_RNA)
where:
Base-Base interactions energy: -158.100
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.201
local terms energy: -70.274616
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.075
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: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -184.014975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.014975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.014975 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.837
local terms energy: -73.462058
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -127.031554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.031554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.031554 (E_RNA)
where:
Base-Base interactions energy: -72.749
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.384
local terms energy: -53.898510
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -10.437
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: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -115.765118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.765118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.765118 (E_RNA)
where:
Base-Base interactions energy: -53.884
where: short stacking energy: -32.841
Base-Backbone interact. energy: -0.224
local terms energy: -61.656667
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -101.226328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226328 (E_RNA)
where:
Base-Base interactions energy: -43.641
where: short stacking energy: -41.419
Base-Backbone interact. energy: -1.137
local terms energy: -56.448335
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -91.605531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605531 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -26.195
Base-Backbone interact. energy: 0.927
local terms energy: -53.694443
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -0.734
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: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -94.964816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.964816 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.260
local terms energy: -56.489489
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -3.996
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -248.158485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.158485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.158485 (E_RNA)
where:
Base-Base interactions energy: -164.723
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.294
local terms energy: -83.141585
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.789
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: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -239.481256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.481256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.481256 (E_RNA)
where:
Base-Base interactions energy: -161.740
where: short stacking energy: -76.508
Base-Backbone interact. energy: 1.772
local terms energy: -79.512582
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -244.910760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.910760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.910760 (E_RNA)
where:
Base-Base interactions energy: -163.527
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.619
local terms energy: -80.765303
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -227.387489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.387489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.387489 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.223
local terms energy: -73.115653
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -7.260
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: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -179.276256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.276256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.276256 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.044
local terms energy: -70.706573
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -10.147
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -138.047241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.047241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.047241 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -43.122
Base-Backbone interact. energy: -2.045
local terms energy: -61.794602
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -11.205
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -104.969420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.969420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.969420 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.077
local terms energy: -53.992704
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -7.333
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: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -105.508121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.508121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.508121 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.148
local terms energy: -62.692522
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -94.658921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.658921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.658921 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.127
local terms energy: -54.292798
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -1.002
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: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -80.515794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.515794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.515794 (E_RNA)
where:
Base-Base interactions energy: -31.860
where: short stacking energy: -20.426
Base-Backbone interact. energy: -0.312
local terms energy: -48.344042
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: 3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -253.543463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.543463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.543463 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -73.826
Base-Backbone interact. energy: -1.053
local terms energy: -83.621239
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -241.832037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.832037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.832037 (E_RNA)
where:
Base-Base interactions energy: -158.426
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.043
local terms energy: -83.363098
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -242.510716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.510716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.510716 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.120
local terms energy: -74.233432
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -13.410
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: 384
Temperature: 1.050000
Total energy: -248.769232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769232 (E_RNA)
where:
Base-Base interactions energy: -168.751
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.243
local terms energy: -79.775196
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -20.950
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: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -173.920796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.920796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.920796 (E_RNA)
where:
Base-Base interactions energy: -96.045
where: short stacking energy: -50.213
Base-Backbone interact. energy: -1.446
local terms energy: -76.430333
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -147.355139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.355139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.355139 (E_RNA)
where:
Base-Base interactions energy: -85.670
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.882
local terms energy: -60.803212
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -106.885176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.885176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.885176 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -44.356
Base-Backbone interact. energy: -1.874
local terms energy: -57.910310
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -5.958
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -96.553927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553927 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.101
local terms energy: -59.830378
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -87.276268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276268 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.594
local terms energy: -58.560825
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -0.676
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: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -84.407976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.407976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.407976 (E_RNA)
where:
Base-Base interactions energy: -42.354
where: short stacking energy: -41.314
Base-Backbone interact. energy: 0.739
local terms energy: -42.792235
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -1.310
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: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -258.176569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.176569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.176569 (E_RNA)
where:
Base-Base interactions energy: -173.593
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.495
local terms energy: -84.088570
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -243.722263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.722263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.722263 (E_RNA)
where:
Base-Base interactions energy: -164.318
where: short stacking energy: -80.265
Base-Backbone interact. energy: 0.372
local terms energy: -79.776120
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.698
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: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -244.560835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.560835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.560835 (E_RNA)
where:
Base-Base interactions energy: -167.917
where: short stacking energy: -73.658
Base-Backbone interact. energy: -0.228
local terms energy: -76.415827
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -242.252656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.252656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.252656 (E_RNA)
where:
Base-Base interactions energy: -161.618
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.040
local terms energy: -80.593715
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -178.549211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.549211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.549211 (E_RNA)
where:
Base-Base interactions energy: -110.160
where: short stacking energy: -61.352
Base-Backbone interact. energy: 0.109
local terms energy: -68.498070
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -144.660011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.660011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.660011 (E_RNA)
where:
Base-Base interactions energy: -76.825
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.197
local terms energy: -67.638376
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.211
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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -95.844342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.844342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.844342 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -32.168
Base-Backbone interact. energy: -0.069
local terms energy: -59.590063
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -92.949879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.949879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.949879 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.172
local terms energy: -52.547072
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -81.831266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.831266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.831266 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.006
local terms energy: -54.695410
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -12.339
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: 385
Temperature: 1.350000
Total energy: -81.863406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863406 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -29.753
Base-Backbone interact. energy: 0.875
local terms energy: -49.201290
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -0.555
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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -251.889994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.889994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.889994 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -76.136
Base-Backbone interact. energy: 0.344
local terms energy: -78.082839
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -248.663721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.663721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.663721 (E_RNA)
where:
Base-Base interactions energy: -176.177
where: short stacking energy: -74.166
Base-Backbone interact. energy: -0.077
local terms energy: -72.409931
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -235.151425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.151425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.151425 (E_RNA)
where:
Base-Base interactions energy: -166.681
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.289
local terms energy: -68.181945
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -244.202984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.202984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.202984 (E_RNA)
where:
Base-Base interactions energy: -170.459
where: short stacking energy: -81.854
Base-Backbone interact. energy: -2.351
local terms energy: -71.392972
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -8.442
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: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -174.550110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.550110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.550110 (E_RNA)
where:
Base-Base interactions energy: -100.242
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.216
local terms energy: -74.092297
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -116.833973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.833973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.833973 (E_RNA)
where:
Base-Base interactions energy: -58.648
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.071
local terms energy: -58.114972
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -4.685
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: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -104.151154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.151154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.151154 (E_RNA)
where:
Base-Base interactions energy: -42.357
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.147
local terms energy: -61.647488
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -9.132
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: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -98.657233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657233 (E_RNA)
where:
Base-Base interactions energy: -34.900
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.093
local terms energy: -63.663741
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.702
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -91.705486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705486 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.183
local terms energy: -50.986292
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -5.210
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: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -86.070895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.070895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.070895 (E_RNA)
where:
Base-Base interactions energy: -41.361
where: short stacking energy: -27.547
Base-Backbone interact. energy: 2.238
local terms energy: -46.947602
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -0.466
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -242.178185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.178185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.178185 (E_RNA)
where:
Base-Base interactions energy: -158.918
where: short stacking energy: -74.757
Base-Backbone interact. energy: -0.428
local terms energy: -82.832868
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -243.023108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.023108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.023108 (E_RNA)
where:
Base-Base interactions energy: -158.730
where: short stacking energy: -72.080
Base-Backbone interact. energy: -0.732
local terms energy: -83.561470
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -239.758641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.758641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.758641 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.598
local terms energy: -80.589128
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -238.911967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.911967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.911967 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.275
local terms energy: -76.958335
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -179.486951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.486951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.486951 (E_RNA)
where:
Base-Base interactions energy: -112.051
where: short stacking energy: -50.810
Base-Backbone interact. energy: -1.238
local terms energy: -66.197139
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -10.452
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: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -103.093127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.093127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.093127 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -37.218
Base-Backbone interact. energy: -0.199
local terms energy: -61.323908
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.792
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: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -109.268668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.268668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.268668 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.095
local terms energy: -67.117483
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -7.840
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -115.601556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.601556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.601556 (E_RNA)
where:
Base-Base interactions energy: -48.234
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.165
local terms energy: -67.202398
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -103.359062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.359062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.359062 (E_RNA)
where:
Base-Base interactions energy: -51.845
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.494
local terms energy: -51.020186
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: 0.051
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: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -82.201857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.201857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.201857 (E_RNA)
where:
Base-Base interactions energy: -23.917
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.058
local terms energy: -58.226551
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -6.202
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: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -254.221271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.221271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.221271 (E_RNA)
where:
Base-Base interactions energy: -173.105
where: short stacking energy: -78.659
Base-Backbone interact. energy: -0.017
local terms energy: -81.099312
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -13.646
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: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -243.517188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.517188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.517188 (E_RNA)
where:
Base-Base interactions energy: -174.898
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.567
local terms energy: -68.052794
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -15.886
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: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -236.775519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.775519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.775519 (E_RNA)
where:
Base-Base interactions energy: -166.765
where: short stacking energy: -75.809
Base-Backbone interact. energy: -0.342
local terms energy: -69.668885
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -9.751
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: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -221.765893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.765893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.765893 (E_RNA)
where:
Base-Base interactions energy: -148.650
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.165
local terms energy: -72.951443
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -179.721447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721447 (E_RNA)
where:
Base-Base interactions energy: -108.266
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.010
local terms energy: -71.445379
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -13.530
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -101.061896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.061896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.061896 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.315
local terms energy: -61.771818
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -113.404666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.404666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.404666 (E_RNA)
where:
Base-Base interactions energy: -55.822
where: short stacking energy: -36.289
Base-Backbone interact. energy: 0.273
local terms energy: -57.854991
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -1.662
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -97.530588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.530588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.530588 (E_RNA)
where:
Base-Base interactions energy: -42.958
where: short stacking energy: -40.122
Base-Backbone interact. energy: -0.044
local terms energy: -54.529304
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -3.404
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: 388
Temperature: 1.300000
Total energy: -93.071717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071717 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -22.188
Base-Backbone interact. energy: -0.386
local terms energy: -66.938124
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.333
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: 388
Temperature: 1.350000
Total energy: -89.142890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.142890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.142890 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.164
local terms energy: -57.414380
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -247.079639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.079639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.079639 (E_RNA)
where:
Base-Base interactions energy: -161.518
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.243
local terms energy: -85.319468
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -22.010
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: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -243.603075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.603075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.603075 (E_RNA)
where:
Base-Base interactions energy: -166.529
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.124
local terms energy: -76.950788
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -244.301484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.301484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.301484 (E_RNA)
where:
Base-Base interactions energy: -161.022
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.364
local terms energy: -82.915392
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -230.736984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.736984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.736984 (E_RNA)
where:
Base-Base interactions energy: -149.925
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.266
local terms energy: -80.546092
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.140
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: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -171.512195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.512195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.512195 (E_RNA)
where:
Base-Base interactions energy: -104.197
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.047
local terms energy: -67.267594
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -111.439763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.439763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.439763 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.142
local terms energy: -68.087432
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -108.065762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.065762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.065762 (E_RNA)
where:
Base-Base interactions energy: -57.642
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.543
local terms energy: -49.880944
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: 0.599
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: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -94.341556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.341556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.341556 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.073
local terms energy: -53.269511
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -93.076096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.076096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.076096 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -27.923
Base-Backbone interact. energy: -0.051
local terms energy: -60.659234
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -10.294
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: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -82.840955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.840955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.840955 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -33.629
Base-Backbone interact. energy: 1.467
local terms energy: -47.845790
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -248.588010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.588010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.588010 (E_RNA)
where:
Base-Base interactions energy: -173.380
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.287
local terms energy: -74.921403
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -247.731838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.731838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.731838 (E_RNA)
where:
Base-Base interactions energy: -169.147
where: short stacking energy: -71.548
Base-Backbone interact. energy: 0.482
local terms energy: -79.067056
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -245.048521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.048521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.048521 (E_RNA)
where:
Base-Base interactions energy: -163.653
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.208
local terms energy: -81.187885
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -240.394995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.394995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.394995 (E_RNA)
where:
Base-Base interactions energy: -160.687
where: short stacking energy: -75.622
Base-Backbone interact. energy: -1.976
local terms energy: -77.731823
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -21.637
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: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -158.167068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.167068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.167068 (E_RNA)
where:
Base-Base interactions energy: -91.818
where: short stacking energy: -44.342
Base-Backbone interact. energy: -0.078
local terms energy: -66.270954
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -136.568521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.568521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.568521 (E_RNA)
where:
Base-Base interactions energy: -86.575
where: short stacking energy: -43.875
Base-Backbone interact. energy: 2.013
local terms energy: -52.006876
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -107.434656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.434656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.434656 (E_RNA)
where:
Base-Base interactions energy: -51.697
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.208
local terms energy: -55.529946
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -102.915050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.915050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.915050 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.164
local terms energy: -58.338896
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -8.325
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: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -79.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.800318 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.296
local terms energy: -44.676989
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -89.093305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.093305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.093305 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -25.178
Base-Backbone interact. energy: -0.370
local terms energy: -56.865033
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -249.681616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.681616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.681616 (E_RNA)
where:
Base-Base interactions energy: -175.619
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.294
local terms energy: -73.768319
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -252.067036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.067036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.067036 (E_RNA)
where:
Base-Base interactions energy: -168.587
where: short stacking energy: -75.997
Base-Backbone interact. energy: -1.699
local terms energy: -81.780698
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -246.788291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.788291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.788291 (E_RNA)
where:
Base-Base interactions energy: -169.489
where: short stacking energy: -80.379
Base-Backbone interact. energy: -0.380
local terms energy: -76.919857
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -236.754066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.754066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.754066 (E_RNA)
where:
Base-Base interactions energy: -155.655
where: short stacking energy: -77.499
Base-Backbone interact. energy: -0.950
local terms energy: -80.149306
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -198.204998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.204998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.204998 (E_RNA)
where:
Base-Base interactions energy: -114.935
where: short stacking energy: -64.160
Base-Backbone interact. energy: -0.296
local terms energy: -82.973769
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -133.587803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.587803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.587803 (E_RNA)
where:
Base-Base interactions energy: -82.272
where: short stacking energy: -46.261
Base-Backbone interact. energy: -0.646
local terms energy: -50.669382
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -1.602
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -111.799757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.799757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.799757 (E_RNA)
where:
Base-Base interactions energy: -57.471
where: short stacking energy: -35.907
Base-Backbone interact. energy: -0.134
local terms energy: -54.195123
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -85.746193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746193 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -28.359
Base-Backbone interact. energy: 0.136
local terms energy: -45.813084
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: 3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -81.547978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547978 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -18.794
Base-Backbone interact. energy: -0.424
local terms energy: -40.303449
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: 6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -82.251292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.251292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.251292 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.966
local terms energy: -47.266258
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -250.165005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.165005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.165005 (E_RNA)
where:
Base-Base interactions energy: -168.659
where: short stacking energy: -71.138
Base-Backbone interact. energy: -1.356
local terms energy: -80.150071
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -254.289151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.289151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.289151 (E_RNA)
where:
Base-Base interactions energy: -170.301
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.159
local terms energy: -83.829082
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -243.880318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.880318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.880318 (E_RNA)
where:
Base-Base interactions energy: -171.276
where: short stacking energy: -75.557
Base-Backbone interact. energy: -0.405
local terms energy: -72.199346
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -245.265729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.265729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.265729 (E_RNA)
where:
Base-Base interactions energy: -166.856
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.265
local terms energy: -78.144622
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -167.239129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.239129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.239129 (E_RNA)
where:
Base-Base interactions energy: -98.608
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.332
local terms energy: -68.299415
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -108.199156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.199156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.199156 (E_RNA)
where:
Base-Base interactions energy: -52.266
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.001
local terms energy: -55.931792
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -99.777836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.777836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.777836 (E_RNA)
where:
Base-Base interactions energy: -36.521
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.905
local terms energy: -62.351859
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -13.008
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: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -96.908776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.908776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.908776 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.832
local terms energy: -66.347679
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -10.295
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: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -93.142871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.142871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.142871 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.393
local terms energy: -54.507895
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -77.436239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.436239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.436239 (E_RNA)
where:
Base-Base interactions energy: -21.942
where: short stacking energy: -21.942
Base-Backbone interact. energy: 4.352
local terms energy: -59.845971
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -12.606
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -247.510508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.510508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.510508 (E_RNA)
where:
Base-Base interactions energy: -172.599
where: short stacking energy: -75.950
Base-Backbone interact. energy: 0.453
local terms energy: -75.364693
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.337
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: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -251.388283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.388283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.388283 (E_RNA)
where:
Base-Base interactions energy: -173.698
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.176
local terms energy: -77.514321
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -22.016
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: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -241.454610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.454610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.454610 (E_RNA)
where:
Base-Base interactions energy: -164.900
where: short stacking energy: -68.228
Base-Backbone interact. energy: -1.033
local terms energy: -75.522095
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -236.820263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.820263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.820263 (E_RNA)
where:
Base-Base interactions energy: -162.111
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.535
local terms energy: -74.174100
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -178.055873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055873 (E_RNA)
where:
Base-Base interactions energy: -114.962
where: short stacking energy: -49.077
Base-Backbone interact. energy: 0.519
local terms energy: -63.613211
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -111.143677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.143677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.143677 (E_RNA)
where:
Base-Base interactions energy: -56.150
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.254
local terms energy: -54.739380
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -98.587726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.587726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.587726 (E_RNA)
where:
Base-Base interactions energy: -42.299
where: short stacking energy: -25.303
Base-Backbone interact. energy: 0.084
local terms energy: -56.372530
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -92.922673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.922673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.922673 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -20.860
Base-Backbone interact. energy: 0.159
local terms energy: -56.528577
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -6.365
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -89.360160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.360160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.360160 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -28.243
Base-Backbone interact. energy: 0.882
local terms energy: -51.818966
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -104.817188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.817188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.817188 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.112
local terms energy: -56.387496
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -3.874
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: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -255.075059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.075059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.075059 (E_RNA)
where:
Base-Base interactions energy: -177.786
where: short stacking energy: -81.353
Base-Backbone interact. energy: -0.650
local terms energy: -76.639174
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.158
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: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -244.061089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.061089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.061089 (E_RNA)
where:
Base-Base interactions energy: -171.433
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.110
local terms energy: -72.518134
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -243.010557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.010557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.010557 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -75.480
Base-Backbone interact. energy: -1.210
local terms energy: -73.877662
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -245.793115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.793115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.793115 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -82.148
Base-Backbone interact. energy: -1.542
local terms energy: -84.176270
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -20.465
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: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -183.223868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.223868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.223868 (E_RNA)
where:
Base-Base interactions energy: -110.381
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.977
local terms energy: -71.865962
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -119.242533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.242533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.242533 (E_RNA)
where:
Base-Base interactions energy: -54.538
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.006
local terms energy: -64.698090
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -10.016
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: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -150.895173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.895173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.895173 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.290
local terms energy: -59.491266
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -9.621
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -86.998549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.998549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.998549 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.113
local terms energy: -54.365549
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.921
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: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -78.779182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779182 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.156
local terms energy: -49.429002
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -9.030
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -83.246434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.246434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.246434 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.116
local terms energy: -50.187945
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -254.062282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.062282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.062282 (E_RNA)
where:
Base-Base interactions energy: -168.054
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.340
local terms energy: -85.668571
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -11.391
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: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -245.763146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.763146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.763146 (E_RNA)
where:
Base-Base interactions energy: -163.419
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.369
local terms energy: -81.975038
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -241.796182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.796182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.796182 (E_RNA)
where:
Base-Base interactions energy: -168.006
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.297
local terms energy: -73.493299
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -15.503
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -239.134703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.134703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.134703 (E_RNA)
where:
Base-Base interactions energy: -164.768
where: short stacking energy: -73.319
Base-Backbone interact. energy: -2.389
local terms energy: -71.978495
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -194.057153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057153 (E_RNA)
where:
Base-Base interactions energy: -118.269
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.128
local terms energy: -75.660179
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -152.999190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.999190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.999190 (E_RNA)
where:
Base-Base interactions energy: -82.290
where: short stacking energy: -43.428
Base-Backbone interact. energy: -0.039
local terms energy: -70.669658
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -12.601
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: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -100.073589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.073589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.073589 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.161
local terms energy: -57.657477
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -84.729712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729712 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -31.205
Base-Backbone interact. energy: -0.207
local terms energy: -50.673930
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -92.472211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.472211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.472211 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -37.908
Base-Backbone interact. energy: -0.444
local terms energy: -51.409723
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -78.691165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.691165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.691165 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.325
local terms energy: -46.514086
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -7.572
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -249.555354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.555354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.555354 (E_RNA)
where:
Base-Base interactions energy: -169.148
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.340
local terms energy: -80.067784
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -251.018940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.018940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.018940 (E_RNA)
where:
Base-Base interactions energy: -170.536
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.182
local terms energy: -80.301297
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -242.224084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.224084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.224084 (E_RNA)
where:
Base-Base interactions energy: -163.854
where: short stacking energy: -71.156
Base-Backbone interact. energy: -0.505
local terms energy: -77.864836
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -234.070013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.070013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.070013 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -60.468
Base-Backbone interact. energy: 0.323
local terms energy: -78.974536
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -188.632799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.632799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.632799 (E_RNA)
where:
Base-Base interactions energy: -124.498
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.085
local terms energy: -64.050422
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -13.092
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: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -176.902022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902022 (E_RNA)
where:
Base-Base interactions energy: -106.615
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.293
local terms energy: -69.993444
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.343
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: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -109.022113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.022113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.022113 (E_RNA)
where:
Base-Base interactions energy: -57.467
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.303
local terms energy: -51.252302
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -102.016168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.016168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.016168 (E_RNA)
where:
Base-Base interactions energy: -51.145
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.095
local terms energy: -50.776397
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -1.763
tors. eta vs tors. theta energy: -3.352
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: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -93.330330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330330 (E_RNA)
where:
Base-Base interactions energy: -52.441
where: short stacking energy: -26.413
Base-Backbone interact. energy: 0.783
local terms energy: -41.671984
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.689464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689464 (E_RNA)
where:
Base-Base interactions energy: -38.341
where: short stacking energy: -34.242
Base-Backbone interact. energy: 0.281
local terms energy: -45.629041
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -0.508
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: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -251.315295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.315295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.315295 (E_RNA)
where:
Base-Base interactions energy: -173.343
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.773
local terms energy: -77.198994
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -249.646091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.646091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.646091 (E_RNA)
where:
Base-Base interactions energy: -171.950
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.260
local terms energy: -77.436874
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.104
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: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -233.727227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.727227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.727227 (E_RNA)
where:
Base-Base interactions energy: -166.393
where: short stacking energy: -65.246
Base-Backbone interact. energy: -1.117
local terms energy: -66.217902
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -13.298
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -231.809050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809050 (E_RNA)
where:
Base-Base interactions energy: -160.177
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.422
local terms energy: -71.209654
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -19.920
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: 397
Temperature: 1.100000
Total energy: -174.074298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.074298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.074298 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.113
local terms energy: -72.199553
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -101.914085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.914085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.914085 (E_RNA)
where:
Base-Base interactions energy: -37.303
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.049
local terms energy: -64.561432
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -172.413087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.413087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.413087 (E_RNA)
where:
Base-Base interactions energy: -100.797
where: short stacking energy: -55.915
Base-Backbone interact. energy: 0.870
local terms energy: -72.485374
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -12.455
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: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -99.656546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.656546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.656546 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -27.402
Base-Backbone interact. energy: 0.657
local terms energy: -51.373596
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.380620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.380620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.380620 (E_RNA)
where:
Base-Base interactions energy: -24.354
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.176
local terms energy: -55.850402
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -2.581
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -81.806883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806883 (E_RNA)
where:
Base-Base interactions energy: -29.738
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.169
local terms energy: -51.899532
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -4.737
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -257.718305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.718305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.718305 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.308
local terms energy: -86.368939
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -249.130633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.130633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.130633 (E_RNA)
where:
Base-Base interactions energy: -173.032
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.246
local terms energy: -75.852934
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -250.289277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.289277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.289277 (E_RNA)
where:
Base-Base interactions energy: -172.556
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.828
local terms energy: -76.905785
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -219.534843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534843 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -67.070
Base-Backbone interact. energy: 0.948
local terms energy: -75.385338
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.210
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -206.709682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.709682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.709682 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.089
local terms energy: -81.124960
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.407
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: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -120.061635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.061635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.061635 (E_RNA)
where:
Base-Base interactions energy: -56.479
where: short stacking energy: -50.168
Base-Backbone interact. energy: 0.554
local terms energy: -64.136637
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -10.053
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -162.768227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.768227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.768227 (E_RNA)
where:
Base-Base interactions energy: -95.111
where: short stacking energy: -45.201
Base-Backbone interact. energy: -0.309
local terms energy: -67.348157
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -115.937681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.937681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.937681 (E_RNA)
where:
Base-Base interactions energy: -58.147
where: short stacking energy: -34.363
Base-Backbone interact. energy: -0.119
local terms energy: -57.671557
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -95.148332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.148332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.148332 (E_RNA)
where:
Base-Base interactions energy: -37.677
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.078
local terms energy: -57.393320
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.032
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: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -99.808728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.808728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.808728 (E_RNA)
where:
Base-Base interactions energy: -50.318
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.137
local terms energy: -49.353120
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: 0.315
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -247.413063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.413063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.413063 (E_RNA)
where:
Base-Base interactions energy: -164.468
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.389
local terms energy: -82.556508
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -247.939090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.939090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.939090 (E_RNA)
where:
Base-Base interactions energy: -164.982
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.133
local terms energy: -82.824377
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -235.215863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.215863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.215863 (E_RNA)
where:
Base-Base interactions energy: -159.268
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.262
local terms energy: -75.685843
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -228.628541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.628541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.628541 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -61.695
Base-Backbone interact. energy: 0.266
local terms energy: -72.121502
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -16.865
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: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -213.936910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.936910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.936910 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -75.984
Base-Backbone interact. energy: 0.148
local terms energy: -76.836307
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -169.558212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.558212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.558212 (E_RNA)
where:
Base-Base interactions energy: -103.203
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.200
local terms energy: -66.154919
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -15.165
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -110.847798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.847798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.847798 (E_RNA)
where:
Base-Base interactions energy: -39.065
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.205
local terms energy: -71.577864
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -12.115
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: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -108.559009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.559009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.559009 (E_RNA)
where:
Base-Base interactions energy: -51.042
where: short stacking energy: -28.457
Base-Backbone interact. energy: -0.235
local terms energy: -57.282177
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -87.970272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.970272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.970272 (E_RNA)
where:
Base-Base interactions energy: -39.195
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.236
local terms energy: -48.539807
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -81.184000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.184000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.184000 (E_RNA)
where:
Base-Base interactions energy: -30.516
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.196
local terms energy: -50.471940
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -2.953
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -252.568166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.568166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.568166 (E_RNA)
where:
Base-Base interactions energy: -171.928
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.124
local terms energy: -80.515890
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -244.538564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.538564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.538564 (E_RNA)
where:
Base-Base interactions energy: -164.793
where: short stacking energy: -71.403
Base-Backbone interact. energy: -1.537
local terms energy: -78.208144
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -243.967427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.967427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.967427 (E_RNA)
where:
Base-Base interactions energy: -172.703
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.221
local terms energy: -71.044074
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -223.060046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.060046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.060046 (E_RNA)
where:
Base-Base interactions energy: -145.475
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.901
local terms energy: -76.684044
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -157.299585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.299585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.299585 (E_RNA)
where:
Base-Base interactions energy: -89.997
where: short stacking energy: -48.313
Base-Backbone interact. energy: -0.107
local terms energy: -67.194990
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -187.935745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935745 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.648
local terms energy: -68.249091
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -106.550171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.550171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.550171 (E_RNA)
where:
Base-Base interactions energy: -63.849
where: short stacking energy: -25.255
Base-Backbone interact. energy: 0.908
local terms energy: -43.608742
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: 1.107
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: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -99.040300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.040300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.040300 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.159
local terms energy: -55.934526
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -90.204664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204664 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.250
local terms energy: -51.476561
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -8.111
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -79.343044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.343044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.343044 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.326
local terms energy: -40.694547
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -3.294
flat angles P-C4'-P energy: -9.524
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -249.617430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.617430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.617430 (E_RNA)
where:
Base-Base interactions energy: -168.809
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.262
local terms energy: -80.546274
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -249.498853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.498853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.498853 (E_RNA)
where:
Base-Base interactions energy: -173.103
where: short stacking energy: -73.509
Base-Backbone interact. energy: -0.400
local terms energy: -75.995083
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -17.213
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: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -242.437293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.437293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.437293 (E_RNA)
where:
Base-Base interactions energy: -170.000
where: short stacking energy: -71.683
Base-Backbone interact. energy: -0.389
local terms energy: -72.048182
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -7.205
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: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -217.621082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621082 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.388
local terms energy: -63.892123
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -160.414681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.414681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.414681 (E_RNA)
where:
Base-Base interactions energy: -97.357
where: short stacking energy: -41.845
Base-Backbone interact. energy: -0.858
local terms energy: -62.200318
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.842
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -143.769209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.769209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.769209 (E_RNA)
where:
Base-Base interactions energy: -84.938
where: short stacking energy: -47.401
Base-Backbone interact. energy: -0.436
local terms energy: -58.395287
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -185.933538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.933538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.933538 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.309
local terms energy: -67.450407
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -93.489139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.489139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.489139 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.216
local terms energy: -54.168037
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.876
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: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -89.826263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.826263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.826263 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.201
local terms energy: -54.009668
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -83.478855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478855 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.156
local terms energy: -47.993085
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -6.973
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: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -248.267069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.267069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.267069 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.258
local terms energy: -76.967358
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -253.604827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.604827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.604827 (E_RNA)
where:
Base-Base interactions energy: -171.008
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.238
local terms energy: -82.358877
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -10.300
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -240.532715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.532715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.532715 (E_RNA)
where:
Base-Base interactions energy: -163.879
where: short stacking energy: -71.015
Base-Backbone interact. energy: 0.049
local terms energy: -76.703658
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.621
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: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -230.162194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.162194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.162194 (E_RNA)
where:
Base-Base interactions energy: -160.707
where: short stacking energy: -56.675
Base-Backbone interact. energy: -0.537
local terms energy: -68.918472
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -154.904978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.904978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.904978 (E_RNA)
where:
Base-Base interactions energy: -97.710
where: short stacking energy: -53.079
Base-Backbone interact. energy: 0.327
local terms energy: -57.521964
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -167.222898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.222898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.222898 (E_RNA)
where:
Base-Base interactions energy: -98.455
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.707
local terms energy: -68.060911
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -162.433467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433467 (E_RNA)
where:
Base-Base interactions energy: -110.330
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.566
local terms energy: -51.537305
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -9.307
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: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -106.771870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.771870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.771870 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.186
local terms energy: -69.728827
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -7.463
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: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -95.771392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.771392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.771392 (E_RNA)
where:
Base-Base interactions energy: -45.936
where: short stacking energy: -39.489
Base-Backbone interact. energy: 0.409
local terms energy: -50.243920
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -4.666
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: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -82.815970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.815970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.815970 (E_RNA)
where:
Base-Base interactions energy: -31.073
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.119
local terms energy: -51.623857
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -2.536
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -249.119426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.119426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.119426 (E_RNA)
where:
Base-Base interactions energy: -170.922
where: short stacking energy: -76.246
Base-Backbone interact. energy: -0.194
local terms energy: -78.003510
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -16.829
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: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -251.169759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.169759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.169759 (E_RNA)
where:
Base-Base interactions energy: -166.933
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.407
local terms energy: -83.830215
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -22.865
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: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -242.493454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.493454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.493454 (E_RNA)
where:
Base-Base interactions energy: -172.184
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.147
local terms energy: -70.162868
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -14.811
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: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -223.462959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.462959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.462959 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.078
local terms energy: -66.468794
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -155.533938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.533938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.533938 (E_RNA)
where:
Base-Base interactions energy: -85.300
where: short stacking energy: -58.997
Base-Backbone interact. energy: -0.291
local terms energy: -69.942606
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -15.989
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -192.584207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.584207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.584207 (E_RNA)
where:
Base-Base interactions energy: -112.393
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.272
local terms energy: -79.919374
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -159.610520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.610520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.610520 (E_RNA)
where:
Base-Base interactions energy: -88.657
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.265
local terms energy: -70.688318
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -9.571
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: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -107.155448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.155448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.155448 (E_RNA)
where:
Base-Base interactions energy: -40.667
where: short stacking energy: -39.545
Base-Backbone interact. energy: -0.196
local terms energy: -66.292116
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -103.533057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.533057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.533057 (E_RNA)
where:
Base-Base interactions energy: -51.184
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.795
local terms energy: -51.553330
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -8.130
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -5.381
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -88.680367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.680367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.680367 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -36.780
Base-Backbone interact. energy: 0.438
local terms energy: -48.329069
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -254.202538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.202538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.202538 (E_RNA)
where:
Base-Base interactions energy: -174.998
where: short stacking energy: -86.220
Base-Backbone interact. energy: -1.704
local terms energy: -77.501144
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -11.868
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: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -241.969732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.969732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.969732 (E_RNA)
where:
Base-Base interactions energy: -174.316
where: short stacking energy: -76.005
Base-Backbone interact. energy: -0.747
local terms energy: -66.906623
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -238.161289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.161289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.161289 (E_RNA)
where:
Base-Base interactions energy: -158.034
where: short stacking energy: -73.678
Base-Backbone interact. energy: -0.207
local terms energy: -79.919881
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -237.762429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.762429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.762429 (E_RNA)
where:
Base-Base interactions energy: -155.465
where: short stacking energy: -75.968
Base-Backbone interact. energy: -1.782
local terms energy: -80.515522
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -192.219830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.219830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.219830 (E_RNA)
where:
Base-Base interactions energy: -127.213
where: short stacking energy: -68.453
Base-Backbone interact. energy: 0.776
local terms energy: -65.783253
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -6.652
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.627
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: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -138.628740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.628740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.628740 (E_RNA)
where:
Base-Base interactions energy: -78.823
where: short stacking energy: -40.032
Base-Backbone interact. energy: -0.128
local terms energy: -59.677886
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -8.646
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: 404
Temperature: 1.200000
Total energy: -96.109684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.109684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.109684 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -39.687
Base-Backbone interact. energy: -0.114
local terms energy: -55.004612
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -139.894494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.894494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.894494 (E_RNA)
where:
Base-Base interactions energy: -82.145
where: short stacking energy: -40.719
Base-Backbone interact. energy: -0.011
local terms energy: -57.738715
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -8.965
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: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -88.063171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.063171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.063171 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -31.793
Base-Backbone interact. energy: -0.110
local terms energy: -56.160386
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -3.622
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: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -87.219567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.219567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.219567 (E_RNA)
where:
Base-Base interactions energy: -25.002
where: short stacking energy: -25.002
Base-Backbone interact. energy: 0.290
local terms energy: -62.507282
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -5.544
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -253.326695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.326695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.326695 (E_RNA)
where:
Base-Base interactions energy: -168.957
where: short stacking energy: -76.673
Base-Backbone interact. energy: -0.328
local terms energy: -84.041777
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -242.165921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.165921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.165921 (E_RNA)
where:
Base-Base interactions energy: -165.037
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.339
local terms energy: -76.790607
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -242.768241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.768241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.768241 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.539
local terms energy: -78.312728
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.691
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: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -208.046663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046663 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.175
local terms energy: -75.661244
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -14.591
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -238.470969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.470969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.470969 (E_RNA)
where:
Base-Base interactions energy: -162.759
where: short stacking energy: -71.840
Base-Backbone interact. energy: -0.004
local terms energy: -75.708053
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -10.840
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: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -144.249312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.249312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.249312 (E_RNA)
where:
Base-Base interactions energy: -95.831
where: short stacking energy: -46.719
Base-Backbone interact. energy: -0.184
local terms energy: -48.234522
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -94.208799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.208799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.208799 (E_RNA)
where:
Base-Base interactions energy: -40.842
where: short stacking energy: -26.933
Base-Backbone interact. energy: 0.481
local terms energy: -53.848124
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -10.555
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: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -131.819745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.819745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.819745 (E_RNA)
where:
Base-Base interactions energy: -80.826
where: short stacking energy: -51.662
Base-Backbone interact. energy: -0.133
local terms energy: -50.859876
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -94.141454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141454 (E_RNA)
where:
Base-Base interactions energy: -32.249
where: short stacking energy: -28.762
Base-Backbone interact. energy: 0.242
local terms energy: -62.134078
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.359
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -85.875496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.875496 (E_RNA)
where:
Base-Base interactions energy: -30.276
where: short stacking energy: -24.575
Base-Backbone interact. energy: 2.287
local terms energy: -57.886763
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.581
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: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -243.911521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.911521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.911521 (E_RNA)
where:
Base-Base interactions energy: -163.622
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.183
local terms energy: -80.105829
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -258.798621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.798621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.798621 (E_RNA)
where:
Base-Base interactions energy: -170.680
where: short stacking energy: -78.770
Base-Backbone interact. energy: -0.249
local terms energy: -87.870306
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -239.371458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.371458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.371458 (E_RNA)
where:
Base-Base interactions energy: -162.738
where: short stacking energy: -72.895
Base-Backbone interact. energy: 0.135
local terms energy: -76.768721
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -219.593265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.593265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.593265 (E_RNA)
where:
Base-Base interactions energy: -140.535
where: short stacking energy: -68.497
Base-Backbone interact. energy: 0.105
local terms energy: -79.163495
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -18.710
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -234.348490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.348490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.348490 (E_RNA)
where:
Base-Base interactions energy: -154.402
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.110
local terms energy: -79.836099
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -17.088
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -110.290194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.290194 (E_RNA)
where:
Base-Base interactions energy: -47.655
where: short stacking energy: -46.189
Base-Backbone interact. energy: -0.236
local terms energy: -62.399757
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -7.089
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: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -124.655266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.655266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.655266 (E_RNA)
where:
Base-Base interactions energy: -68.280
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.072
local terms energy: -56.303663
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -108.865052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.865052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.865052 (E_RNA)
where:
Base-Base interactions energy: -50.199
where: short stacking energy: -46.636
Base-Backbone interact. energy: -0.089
local terms energy: -58.576808
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -94.273820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.273820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.273820 (E_RNA)
where:
Base-Base interactions energy: -36.150
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.288
local terms energy: -57.835721
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.033
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: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -93.404265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.404265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.404265 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.042
local terms energy: -49.024164
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.634
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: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -247.964363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.964363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.964363 (E_RNA)
where:
Base-Base interactions energy: -174.340
where: short stacking energy: -77.667
Base-Backbone interact. energy: -0.063
local terms energy: -73.561188
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -240.485444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.485444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.485444 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.657
local terms energy: -78.946408
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -241.816168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.816168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.816168 (E_RNA)
where:
Base-Base interactions energy: -166.700
where: short stacking energy: -76.098
Base-Backbone interact. energy: -0.347
local terms energy: -74.768860
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -18.875
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -232.581085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.581085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.581085 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.456
local terms energy: -77.080086
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -217.220746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220746 (E_RNA)
where:
Base-Base interactions energy: -135.752
where: short stacking energy: -70.492
Base-Backbone interact. energy: 0.141
local terms energy: -81.609478
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -19.926
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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -108.319777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.319777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.319777 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.042
local terms energy: -65.310591
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -7.749
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -114.558209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.558209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.558209 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -42.603
Base-Backbone interact. energy: -0.043
local terms energy: -63.166671
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.989
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: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -104.567402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.567402 (E_RNA)
where:
Base-Base interactions energy: -41.505
where: short stacking energy: -39.673
Base-Backbone interact. energy: -1.024
local terms energy: -62.038313
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -5.293
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -98.274020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.274020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.274020 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -37.388
Base-Backbone interact. energy: -0.822
local terms energy: -58.269178
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -7.739
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -81.169762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.169762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.169762 (E_RNA)
where:
Base-Base interactions energy: -30.559
where: short stacking energy: -21.449
Base-Backbone interact. energy: -0.089
local terms energy: -50.521085
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -243.304763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.304763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.304763 (E_RNA)
where:
Base-Base interactions energy: -169.004
where: short stacking energy: -68.066
Base-Backbone interact. energy: -1.126
local terms energy: -73.174777
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.673
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -253.190106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.190106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.190106 (E_RNA)
where:
Base-Base interactions energy: -177.926
where: short stacking energy: -75.759
Base-Backbone interact. energy: -0.438
local terms energy: -74.825216
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -233.522512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.522512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.522512 (E_RNA)
where:
Base-Base interactions energy: -162.805
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.370
local terms energy: -70.347510
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -17.230
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -242.920011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.920011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.920011 (E_RNA)
where:
Base-Base interactions energy: -168.029
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.567
local terms energy: -74.323505
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -197.930892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.930892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.930892 (E_RNA)
where:
Base-Base interactions energy: -128.163
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.575
local terms energy: -69.192794
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -112.655606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.655606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.655606 (E_RNA)
where:
Base-Base interactions energy: -47.774
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.011
local terms energy: -64.870509
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -118.425430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.425430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.425430 (E_RNA)
where:
Base-Base interactions energy: -63.926
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.182
local terms energy: -54.317394
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -4.091
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: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -92.901851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.901851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.901851 (E_RNA)
where:
Base-Base interactions energy: -39.059
where: short stacking energy: -35.446
Base-Backbone interact. energy: -0.113
local terms energy: -53.729711
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -83.533429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.533429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.533429 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -25.361
Base-Backbone interact. energy: -0.882
local terms energy: -57.390705
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.644
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -78.402674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.402674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.402674 (E_RNA)
where:
Base-Base interactions energy: -24.523
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.408
local terms energy: -53.471611
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -243.391953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.391953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.391953 (E_RNA)
where:
Base-Base interactions energy: -164.724
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.249
local terms energy: -78.418956
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.153
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: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -256.559860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.559860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.559860 (E_RNA)
where:
Base-Base interactions energy: -180.126
where: short stacking energy: -76.906
Base-Backbone interact. energy: -0.202
local terms energy: -76.231413
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -244.044566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.044566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.044566 (E_RNA)
where:
Base-Base interactions energy: -164.784
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.580
local terms energy: -78.679983
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -201.370739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.370739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.370739 (E_RNA)
where:
Base-Base interactions energy: -129.903
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.214
local terms energy: -71.253457
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -237.934275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.934275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.934275 (E_RNA)
where:
Base-Base interactions energy: -162.251
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.613
local terms energy: -75.070598
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -15.554
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -126.536538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.536538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.536538 (E_RNA)
where:
Base-Base interactions energy: -66.153
where: short stacking energy: -39.529
Base-Backbone interact. energy: 1.364
local terms energy: -61.747553
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -7.677
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: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -100.305133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.305133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.305133 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.198
local terms energy: -58.198957
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -100.541294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.541294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.541294 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -36.319
Base-Backbone interact. energy: -0.230
local terms energy: -64.892281
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -103.116293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.116293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.116293 (E_RNA)
where:
Base-Base interactions energy: -49.172
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.168
local terms energy: -53.776595
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -84.924328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924328 (E_RNA)
where:
Base-Base interactions energy: -35.410
where: short stacking energy: -30.355
Base-Backbone interact. energy: 0.014
local terms energy: -49.528826
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -1.879
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: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -246.972581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.972581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.972581 (E_RNA)
where:
Base-Base interactions energy: -163.379
where: short stacking energy: -71.995
Base-Backbone interact. energy: -1.079
local terms energy: -82.514824
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -240.270105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.270105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.270105 (E_RNA)
where:
Base-Base interactions energy: -155.513
where: short stacking energy: -71.217
Base-Backbone interact. energy: -1.010
local terms energy: -83.747419
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -17.372
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -240.735146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.735146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.735146 (E_RNA)
where:
Base-Base interactions energy: -165.109
where: short stacking energy: -76.154
Base-Backbone interact. energy: 0.766
local terms energy: -76.392182
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.615
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -208.015770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.015770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.015770 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.788
local terms energy: -79.684617
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -233.238012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.238012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238012 (E_RNA)
where:
Base-Base interactions energy: -168.029
where: short stacking energy: -74.176
Base-Backbone interact. energy: 1.415
local terms energy: -66.623513
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -108.283256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.283256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.283256 (E_RNA)
where:
Base-Base interactions energy: -59.791
where: short stacking energy: -32.895
Base-Backbone interact. energy: 0.492
local terms energy: -48.984202
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -5.277
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: 1.629
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: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -127.405974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.405974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.405974 (E_RNA)
where:
Base-Base interactions energy: -61.035
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.079
local terms energy: -66.291929
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -90.639808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639808 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.287
local terms energy: -54.270279
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -5.164
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: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -108.145455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.145455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.145455 (E_RNA)
where:
Base-Base interactions energy: -48.810
where: short stacking energy: -26.752
Base-Backbone interact. energy: 1.707
local terms energy: -61.041753
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -85.804854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.804854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.804854 (E_RNA)
where:
Base-Base interactions energy: -30.565
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.121
local terms energy: -55.118490
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -3.389
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: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -248.716001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.716001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.716001 (E_RNA)
where:
Base-Base interactions energy: -164.371
where: short stacking energy: -75.386
Base-Backbone interact. energy: 0.751
local terms energy: -85.095576
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -251.824581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.824581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.824581 (E_RNA)
where:
Base-Base interactions energy: -169.481
where: short stacking energy: -68.228
Base-Backbone interact. energy: -0.665
local terms energy: -81.677811
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -239.427253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.427253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.427253 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -60.078
Base-Backbone interact. energy: 0.102
local terms energy: -77.464179
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -9.492
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: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -232.503794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.503794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.503794 (E_RNA)
where:
Base-Base interactions energy: -154.513
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.138
local terms energy: -77.851963
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -8.795
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: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -205.503750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.503750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.503750 (E_RNA)
where:
Base-Base interactions energy: -131.414
where: short stacking energy: -68.224
Base-Backbone interact. energy: 0.488
local terms energy: -74.577648
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -104.826405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826405 (E_RNA)
where:
Base-Base interactions energy: -46.026
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.021
local terms energy: -58.779369
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -92.976697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.976697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.976697 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.257
local terms energy: -54.872891
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -106.068545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.068545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.068545 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.099
local terms energy: -66.793908
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -7.984
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -96.307453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.307453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.307453 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -30.530
Base-Backbone interact. energy: -1.143
local terms energy: -48.313950
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -1.016
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -78.018903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.018903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.018903 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -27.634
Base-Backbone interact. energy: 0.346
local terms energy: -50.730439
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -245.378701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.378701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.378701 (E_RNA)
where:
Base-Base interactions energy: -170.183
where: short stacking energy: -65.361
Base-Backbone interact. energy: -0.282
local terms energy: -74.914302
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -7.895
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: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -237.373744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.373744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.373744 (E_RNA)
where:
Base-Base interactions energy: -157.863
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.159
local terms energy: -79.351940
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -246.941669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.941669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.941669 (E_RNA)
where:
Base-Base interactions energy: -164.443
where: short stacking energy: -72.090
Base-Backbone interact. energy: 0.138
local terms energy: -82.636271
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -234.613454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.613454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.613454 (E_RNA)
where:
Base-Base interactions energy: -158.314
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.478
local terms energy: -75.821352
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.634
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: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -189.174226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.174226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.174226 (E_RNA)
where:
Base-Base interactions energy: -115.541
where: short stacking energy: -56.861
Base-Backbone interact. energy: -1.260
local terms energy: -72.374042
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -17.827
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -95.034492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.034492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.034492 (E_RNA)
where:
Base-Base interactions energy: -33.531
where: short stacking energy: -33.531
Base-Backbone interact. energy: 0.135
local terms energy: -61.638161
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -119.920143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.920143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.920143 (E_RNA)
where:
Base-Base interactions energy: -68.249
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.155
local terms energy: -51.516087
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -98.305044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.305044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.305044 (E_RNA)
where:
Base-Base interactions energy: -46.693
where: short stacking energy: -43.745
Base-Backbone interact. energy: 1.528
local terms energy: -53.140587
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -84.702845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.702845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.702845 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -38.175
Base-Backbone interact. energy: 0.014
local terms energy: -47.842432
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -99.133047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.133047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.133047 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -37.824
Base-Backbone interact. energy: 0.435
local terms energy: -46.388611
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -4.847
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: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -244.821991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.821991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.821991 (E_RNA)
where:
Base-Base interactions energy: -166.368
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.300
local terms energy: -78.153736
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -253.120962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.120962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.120962 (E_RNA)
where:
Base-Base interactions energy: -175.974
where: short stacking energy: -79.644
Base-Backbone interact. energy: -0.243
local terms energy: -76.904176
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -9.102
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -22.835
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -248.143435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.143435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.143435 (E_RNA)
where:
Base-Base interactions energy: -167.075
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.348
local terms energy: -80.721054
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -231.942187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.942187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.942187 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.699
local terms energy: -78.885829
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -16.898
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: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -201.996981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.996981 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -69.795
Base-Backbone interact. energy: 0.107
local terms energy: -73.809533
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -105.347004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.347004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.347004 (E_RNA)
where:
Base-Base interactions energy: -47.099
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.517
local terms energy: -57.731384
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -9.440
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -118.502083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.502083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.502083 (E_RNA)
where:
Base-Base interactions energy: -50.096
where: short stacking energy: -33.679
Base-Backbone interact. energy: -1.082
local terms energy: -67.324262
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -101.180745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.180745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.180745 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -41.206
Base-Backbone interact. energy: -0.336
local terms energy: -56.964756
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -9.715
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -99.934035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.934035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.934035 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.169
local terms energy: -53.539305
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -96.900717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.900717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.900717 (E_RNA)
where:
Base-Base interactions energy: -41.119
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.258
local terms energy: -55.524294
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -7.727
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: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -255.304598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.304598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.304598 (E_RNA)
where:
Base-Base interactions energy: -182.277
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.315
local terms energy: -72.711907
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -240.672356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.672356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.672356 (E_RNA)
where:
Base-Base interactions energy: -162.982
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.374
local terms energy: -77.316613
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -20.772
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -237.259970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.259970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.259970 (E_RNA)
where:
Base-Base interactions energy: -162.802
where: short stacking energy: -65.690
Base-Backbone interact. energy: 0.305
local terms energy: -74.762173
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -230.526107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.526107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.526107 (E_RNA)
where:
Base-Base interactions energy: -153.235
where: short stacking energy: -60.692
Base-Backbone interact. energy: -1.500
local terms energy: -75.790450
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -17.615
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: 414
Temperature: 1.100000
Total energy: -186.924764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924764 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -61.433
Base-Backbone interact. energy: -0.012
local terms energy: -68.287168
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -121.009299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.009299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.009299 (E_RNA)
where:
Base-Base interactions energy: -56.860
where: short stacking energy: -55.122
Base-Backbone interact. energy: 0.227
local terms energy: -64.376800
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -90.650792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.650792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.650792 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.035
local terms energy: -50.134298
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -9.806
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -98.333554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.333554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.333554 (E_RNA)
where:
Base-Base interactions energy: -44.678
where: short stacking energy: -29.735
Base-Backbone interact. energy: -1.350
local terms energy: -52.305061
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -0.080
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: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -88.239199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239199 (E_RNA)
where:
Base-Base interactions energy: -39.305
where: short stacking energy: -39.305
Base-Backbone interact. energy: 0.854
local terms energy: -49.787673
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -78.732083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732083 (E_RNA)
where:
Base-Base interactions energy: -24.769
where: short stacking energy: -21.568
Base-Backbone interact. energy: -0.148
local terms energy: -53.814898
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -252.749016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.749016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.749016 (E_RNA)
where:
Base-Base interactions energy: -169.680
where: short stacking energy: -79.384
Base-Backbone interact. energy: -1.429
local terms energy: -81.640685
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -245.534638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.534638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.534638 (E_RNA)
where:
Base-Base interactions energy: -164.472
where: short stacking energy: -72.015
Base-Backbone interact. energy: -2.323
local terms energy: -78.739008
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -235.608032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.608032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.608032 (E_RNA)
where:
Base-Base interactions energy: -165.160
where: short stacking energy: -74.835
Base-Backbone interact. energy: -0.404
local terms energy: -70.044128
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -237.085865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.085865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.085865 (E_RNA)
where:
Base-Base interactions energy: -154.452
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.059
local terms energy: -82.574631
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -19.707
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: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -164.778585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.778585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.778585 (E_RNA)
where:
Base-Base interactions energy: -96.783
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.720
local terms energy: -67.275710
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -127.671342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.671342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.671342 (E_RNA)
where:
Base-Base interactions energy: -62.762
where: short stacking energy: -45.855
Base-Backbone interact. energy: -1.663
local terms energy: -63.245668
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -95.928694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.928694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.928694 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -34.106
Base-Backbone interact. energy: -0.022
local terms energy: -59.696923
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -107.570004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.570004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.570004 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.103
local terms energy: -67.808211
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -7.932
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: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -98.538488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.538488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.538488 (E_RNA)
where:
Base-Base interactions energy: -44.292
where: short stacking energy: -27.092
Base-Backbone interact. energy: -0.291
local terms energy: -53.956189
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -100.156562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.156562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.156562 (E_RNA)
where:
Base-Base interactions energy: -42.120
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.203
local terms energy: -57.833684
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -246.405862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.405862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.405862 (E_RNA)
where:
Base-Base interactions energy: -164.794
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.434
local terms energy: -81.178213
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.511
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -244.659263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.659263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659263 (E_RNA)
where:
Base-Base interactions energy: -171.415
where: short stacking energy: -72.736
Base-Backbone interact. energy: -1.025
local terms energy: -72.219389
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -237.761160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.761160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.761160 (E_RNA)
where:
Base-Base interactions energy: -160.586
where: short stacking energy: -71.192
Base-Backbone interact. energy: -0.572
local terms energy: -76.603714
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -16.325
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -240.768331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.768331 (E_RNA)
where:
Base-Base interactions energy: -167.827
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.383
local terms energy: -72.557862
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -199.725078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.725078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.725078 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -64.009
Base-Backbone interact. energy: -0.004
local terms energy: -75.229632
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -19.057
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -101.713288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.713288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.713288 (E_RNA)
where:
Base-Base interactions energy: -46.338
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.055
local terms energy: -55.319767
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.020
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: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -123.615034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.615034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.615034 (E_RNA)
where:
Base-Base interactions energy: -70.937
where: short stacking energy: -38.766
Base-Backbone interact. energy: -0.229
local terms energy: -52.449523
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -101.912608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912608 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -40.147
Base-Backbone interact. energy: -0.010
local terms energy: -61.289996
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -9.863
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: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -94.838218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.838218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.838218 (E_RNA)
where:
Base-Base interactions energy: -38.289
where: short stacking energy: -38.289
Base-Backbone interact. energy: -0.372
local terms energy: -56.177762
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.358
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -88.446809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.446809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.446809 (E_RNA)
where:
Base-Base interactions energy: -46.370
where: short stacking energy: -20.719
Base-Backbone interact. energy: 1.646
local terms energy: -43.722063
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: 2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -255.653988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.653988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.653988 (E_RNA)
where:
Base-Base interactions energy: -171.033
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.318
local terms energy: -84.303118
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -18.791
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: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -242.401768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.401768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.401768 (E_RNA)
where:
Base-Base interactions energy: -165.064
where: short stacking energy: -82.063
Base-Backbone interact. energy: -0.758
local terms energy: -76.580072
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -22.024
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -247.445462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.445462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.445462 (E_RNA)
where:
Base-Base interactions energy: -172.947
where: short stacking energy: -74.644
Base-Backbone interact. energy: -0.138
local terms energy: -74.360704
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -205.909913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.909913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.909913 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.348
local terms energy: -76.193439
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.767
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: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -225.819632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.819632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.819632 (E_RNA)
where:
Base-Base interactions energy: -152.616
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.404
local terms energy: -72.799278
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -14.629
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -145.373551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.373551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.373551 (E_RNA)
where:
Base-Base interactions energy: -85.268
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.073
local terms energy: -60.032631
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -12.034
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.413156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.413156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.413156 (E_RNA)
where:
Base-Base interactions energy: -32.505
where: short stacking energy: -32.478
Base-Backbone interact. energy: -0.408
local terms energy: -62.499696
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -98.233486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.233486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.233486 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.137
local terms energy: -56.117867
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -93.661425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.661425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.661425 (E_RNA)
where:
Base-Base interactions energy: -28.045
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.235
local terms energy: -65.380898
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.023
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: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -92.868047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.868047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.868047 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.087
local terms energy: -58.723429
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -247.360186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.360186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.360186 (E_RNA)
where:
Base-Base interactions energy: -168.819
where: short stacking energy: -70.788
Base-Backbone interact. energy: -0.849
local terms energy: -77.691936
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -236.706413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.706413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.706413 (E_RNA)
where:
Base-Base interactions energy: -159.292
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.210
local terms energy: -77.204199
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -251.761567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.761567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.761567 (E_RNA)
where:
Base-Base interactions energy: -169.324
where: short stacking energy: -82.159
Base-Backbone interact. energy: -0.779
local terms energy: -81.658992
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -196.580594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.580594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.580594 (E_RNA)
where:
Base-Base interactions energy: -121.377
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.641
local terms energy: -74.562591
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -227.991359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.991359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.991359 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.373
local terms energy: -68.116163
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -12.011
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: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -98.424523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.424523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.424523 (E_RNA)
where:
Base-Base interactions energy: -39.073
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.039
local terms energy: -59.312455
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -106.019616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.019616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.019616 (E_RNA)
where:
Base-Base interactions energy: -47.826
where: short stacking energy: -47.826
Base-Backbone interact. energy: -0.110
local terms energy: -58.083597
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.330
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: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -112.850970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.850970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.850970 (E_RNA)
where:
Base-Base interactions energy: -54.096
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.137
local terms energy: -58.617393
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -89.448929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.448929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.448929 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.357
local terms energy: -60.484657
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -82.850851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.850851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.850851 (E_RNA)
where:
Base-Base interactions energy: -24.802
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.118
local terms energy: -57.931018
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -2.368
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -258.787250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.787250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.787250 (E_RNA)
where:
Base-Base interactions energy: -170.646
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.851
local terms energy: -87.290422
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -240.325768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.325768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.325768 (E_RNA)
where:
Base-Base interactions energy: -161.906
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.814
local terms energy: -77.605741
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -240.377137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.377137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.377137 (E_RNA)
where:
Base-Base interactions energy: -162.409
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.142
local terms energy: -77.826704
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -17.258
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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -238.399107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.399107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.399107 (E_RNA)
where:
Base-Base interactions energy: -167.247
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.621
local terms energy: -70.531548
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.386
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: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -180.721603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.721603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.721603 (E_RNA)
where:
Base-Base interactions energy: -110.917
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.024
local terms energy: -69.781028
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -108.239692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.239692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.239692 (E_RNA)
where:
Base-Base interactions energy: -46.915
where: short stacking energy: -39.769
Base-Backbone interact. energy: -0.007
local terms energy: -61.318323
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -3.759
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: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -110.144557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.144557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.144557 (E_RNA)
where:
Base-Base interactions energy: -49.657
where: short stacking energy: -41.506
Base-Backbone interact. energy: -0.336
local terms energy: -60.151843
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -9.680
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -5.574
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -99.152801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.152801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.152801 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.061
local terms energy: -56.575293
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -4.310
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: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -90.863015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.863015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.863015 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.093
local terms energy: -61.225338
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -89.981651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981651 (E_RNA)
where:
Base-Base interactions energy: -42.961
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.042
local terms energy: -46.978458
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -250.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.188529 (E_RNA)
where:
Base-Base interactions energy: -181.242
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.145
local terms energy: -68.801639
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -251.474313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.474313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.474313 (E_RNA)
where:
Base-Base interactions energy: -164.346
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.698
local terms energy: -86.430382
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -21.770
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -240.572223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.572223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.572223 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.328
local terms energy: -67.042621
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -241.404008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.404008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.404008 (E_RNA)
where:
Base-Base interactions energy: -168.589
where: short stacking energy: -71.755
Base-Backbone interact. energy: -1.346
local terms energy: -71.468786
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -17.712
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: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -209.686719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.686719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.686719 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -68.484
Base-Backbone interact. energy: 0.137
local terms energy: -75.840857
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -8.358
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -121.474938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.474938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.474938 (E_RNA)
where:
Base-Base interactions energy: -56.746
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.028
local terms energy: -64.700776
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -96.324728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324728 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.407
local terms energy: -57.160487
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -88.143317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.143317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.143317 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.521
local terms energy: -52.019016
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -85.461714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461714 (E_RNA)
where:
Base-Base interactions energy: -25.976
where: short stacking energy: -24.204
Base-Backbone interact. energy: -1.532
local terms energy: -57.954171
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -87.643425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643425 (E_RNA)
where:
Base-Base interactions energy: -33.047
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.478
local terms energy: -54.118257
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -1.740
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: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -246.291215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.291215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.291215 (E_RNA)
where:
Base-Base interactions energy: -169.283
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.178
local terms energy: -76.829374
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -12.033
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: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -249.454887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.454887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.454887 (E_RNA)
where:
Base-Base interactions energy: -170.564
where: short stacking energy: -70.790
Base-Backbone interact. energy: -1.153
local terms energy: -77.738245
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -17.894
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: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -242.640789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.640789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.640789 (E_RNA)
where:
Base-Base interactions energy: -171.509
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.627
local terms energy: -70.505061
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -196.463532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.463532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.463532 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.267
local terms energy: -65.508089
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -228.388364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.388364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.388364 (E_RNA)
where:
Base-Base interactions energy: -149.087
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.325
local terms energy: -78.975816
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -11.540
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: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -111.449611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.449611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.449611 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.047
local terms energy: -63.220256
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -12.572
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: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -94.056327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056327 (E_RNA)
where:
Base-Base interactions energy: -39.423
where: short stacking energy: -38.686
Base-Backbone interact. energy: -0.268
local terms energy: -54.365303
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -128.696474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.696474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.696474 (E_RNA)
where:
Base-Base interactions energy: -69.421
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.179
local terms energy: -59.096732
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -82.775071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.775071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.775071 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -20.864
Base-Backbone interact. energy: 0.401
local terms energy: -49.203539
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -6.736
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: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -83.433486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.433486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.433486 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.176
local terms energy: -53.361722
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -252.907698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.907698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.907698 (E_RNA)
where:
Base-Base interactions energy: -172.162
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.083
local terms energy: -80.662739
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -13.522
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -238.591251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.591251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.591251 (E_RNA)
where:
Base-Base interactions energy: -164.491
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.347
local terms energy: -73.752420
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -13.908
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -240.896110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.896110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.896110 (E_RNA)
where:
Base-Base interactions energy: -165.969
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.576
local terms energy: -74.351818
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.633
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: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -216.585239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.585239 (E_RNA)
where:
Base-Base interactions energy: -137.454
where: short stacking energy: -71.771
Base-Backbone interact. energy: -0.469
local terms energy: -78.661510
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -225.224432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224432 (E_RNA)
where:
Base-Base interactions energy: -151.414
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.087
local terms energy: -73.723571
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -101.839635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.839635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.839635 (E_RNA)
where:
Base-Base interactions energy: -48.731
where: short stacking energy: -33.600
Base-Backbone interact. energy: 0.668
local terms energy: -53.776941
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -1.419
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -146.238845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.238845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.238845 (E_RNA)
where:
Base-Base interactions energy: -82.495
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.238
local terms energy: -63.506174
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -8.577
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: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -104.758614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.758614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.758614 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -45.578
Base-Backbone interact. energy: 1.482
local terms energy: -58.307209
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -3.482
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: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -106.763100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.763100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.763100 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.022
local terms energy: -65.160818
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -90.407833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.407833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.407833 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -31.344
Base-Backbone interact. energy: -0.123
local terms energy: -57.621848
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -4.669
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: 423
Temperature: 0.900000
Total energy: -248.118817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.118817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.118817 (E_RNA)
where:
Base-Base interactions energy: -166.386
where: short stacking energy: -73.800
Base-Backbone interact. energy: -0.104
local terms energy: -81.628967
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -246.949675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.949675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.949675 (E_RNA)
where:
Base-Base interactions energy: -171.256
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.658
local terms energy: -75.035027
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -243.974657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.974657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.974657 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.267
local terms energy: -71.233031
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -234.878569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.878569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.878569 (E_RNA)
where:
Base-Base interactions energy: -159.325
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.096
local terms energy: -75.457545
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -214.065910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.065910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.065910 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -80.873
Base-Backbone interact. energy: -1.321
local terms energy: -74.898953
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -135.223904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.223904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.223904 (E_RNA)
where:
Base-Base interactions energy: -74.196
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.472
local terms energy: -60.556632
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -102.746412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.746412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.746412 (E_RNA)
where:
Base-Base interactions energy: -47.335
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.170
local terms energy: -55.241303
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.091245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.091245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.091245 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.122
local terms energy: -50.401387
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -88.961966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.961966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.961966 (E_RNA)
where:
Base-Base interactions energy: -32.113
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.347
local terms energy: -56.501757
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.283
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -83.300920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300920 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -36.501
Base-Backbone interact. energy: -0.148
local terms energy: -43.699438
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -1.998
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: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -245.175389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.175389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.175389 (E_RNA)
where:
Base-Base interactions energy: -174.794
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.140
local terms energy: -70.241218
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -244.097137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.097137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.097137 (E_RNA)
where:
Base-Base interactions energy: -175.767
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.273
local terms energy: -68.057172
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -245.822349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.822349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.822349 (E_RNA)
where:
Base-Base interactions energy: -171.393
where: short stacking energy: -75.172
Base-Backbone interact. energy: -0.237
local terms energy: -74.192846
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -239.731951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.731951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.731951 (E_RNA)
where:
Base-Base interactions energy: -163.818
where: short stacking energy: -78.440
Base-Backbone interact. energy: -1.174
local terms energy: -74.739881
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -19.769
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: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -215.908667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.908667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.908667 (E_RNA)
where:
Base-Base interactions energy: -137.755
where: short stacking energy: -81.224
Base-Backbone interact. energy: -0.261
local terms energy: -77.892459
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -135.753072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.753072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.753072 (E_RNA)
where:
Base-Base interactions energy: -73.817
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.278
local terms energy: -61.658743
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -101.779731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.779731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.779731 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -42.466
Base-Backbone interact. energy: -0.044
local terms energy: -59.270026
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -100.533822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.533822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.533822 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -41.244
Base-Backbone interact. energy: -0.208
local terms energy: -59.681961
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -95.825386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.825386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.825386 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.008
local terms energy: -60.627173
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -89.258218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.258218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.258218 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -23.133
Base-Backbone interact. energy: -0.498
local terms energy: -49.491631
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -254.900270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.900270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.900270 (E_RNA)
where:
Base-Base interactions energy: -178.888
where: short stacking energy: -66.766
Base-Backbone interact. energy: -0.219
local terms energy: -75.793589
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -247.500806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.500806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.500806 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -81.487
Base-Backbone interact. energy: -0.286
local terms energy: -77.946012
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -244.579596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.579596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.579596 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.126
local terms energy: -77.950121
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -15.674
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -244.380000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.380000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.380000 (E_RNA)
where:
Base-Base interactions energy: -164.028
where: short stacking energy: -73.436
Base-Backbone interact. energy: -0.101
local terms energy: -80.250829
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -190.462618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462618 (E_RNA)
where:
Base-Base interactions energy: -121.326
where: short stacking energy: -62.528
Base-Backbone interact. energy: 0.132
local terms energy: -69.268710
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -15.022
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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -126.986633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.986633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.986633 (E_RNA)
where:
Base-Base interactions energy: -62.943
where: short stacking energy: -38.844
Base-Backbone interact. energy: 0.776
local terms energy: -64.819966
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -118.311995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.311995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.311995 (E_RNA)
where:
Base-Base interactions energy: -57.707
where: short stacking energy: -42.108
Base-Backbone interact. energy: -0.185
local terms energy: -60.420326
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -11.352
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: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -110.542245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.542245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.542245 (E_RNA)
where:
Base-Base interactions energy: -73.634
where: short stacking energy: -38.260
Base-Backbone interact. energy: 1.328
local terms energy: -38.235908
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -4.997
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: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -96.468453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.468453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.468453 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.205
local terms energy: -53.904521
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -100.815433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.815433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.815433 (E_RNA)
where:
Base-Base interactions energy: -46.940
where: short stacking energy: -35.451
Base-Backbone interact. energy: -0.425
local terms energy: -53.450554
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -252.948035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.948035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.948035 (E_RNA)
where:
Base-Base interactions energy: -174.921
where: short stacking energy: -75.749
Base-Backbone interact. energy: -0.486
local terms energy: -77.541333
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -237.919411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.919411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.919411 (E_RNA)
where:
Base-Base interactions energy: -163.744
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.652
local terms energy: -73.523590
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -16.864
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: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -238.109937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.109937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.109937 (E_RNA)
where:
Base-Base interactions energy: -166.048
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.556
local terms energy: -71.506333
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.159
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: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -241.464693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.464693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.464693 (E_RNA)
where:
Base-Base interactions energy: -168.578
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.143
local terms energy: -72.743213
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -188.780099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.780099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.780099 (E_RNA)
where:
Base-Base interactions energy: -122.306
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.163
local terms energy: -66.311406
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -4.812
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: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -105.605400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.605400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.605400 (E_RNA)
where:
Base-Base interactions energy: -54.402
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.412
local terms energy: -50.791706
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.223
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: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -157.205073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.205073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.205073 (E_RNA)
where:
Base-Base interactions energy: -100.492
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.105
local terms energy: -56.608401
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -113.007939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.007939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.007939 (E_RNA)
where:
Base-Base interactions energy: -55.506
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.078
local terms energy: -57.423528
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -5.311
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -110.680906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680906 (E_RNA)
where:
Base-Base interactions energy: -60.289
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.031
local terms energy: -50.361070
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -76.193638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.193638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.193638 (E_RNA)
where:
Base-Base interactions energy: -31.978
where: short stacking energy: -23.881
Base-Backbone interact. energy: -0.018
local terms energy: -44.197538
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -6.788
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: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -245.382225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.382225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.382225 (E_RNA)
where:
Base-Base interactions energy: -167.591
where: short stacking energy: -77.574
Base-Backbone interact. energy: -0.273
local terms energy: -77.518327
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -245.027747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.027747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.027747 (E_RNA)
where:
Base-Base interactions energy: -166.436
where: short stacking energy: -80.388
Base-Backbone interact. energy: -0.199
local terms energy: -78.392658
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -233.547282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.547282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547282 (E_RNA)
where:
Base-Base interactions energy: -160.992
where: short stacking energy: -69.557
Base-Backbone interact. energy: -0.366
local terms energy: -72.189862
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.101
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -229.000817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.000817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.000817 (E_RNA)
where:
Base-Base interactions energy: -164.327
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.479
local terms energy: -64.194904
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -178.852772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.852772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852772 (E_RNA)
where:
Base-Base interactions energy: -106.710
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.020
local terms energy: -72.123312
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -153.874028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.874028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.874028 (E_RNA)
where:
Base-Base interactions energy: -94.389
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.192
local terms energy: -59.293500
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -99.334670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.334670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.334670 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -36.827
Base-Backbone interact. energy: -0.136
local terms energy: -62.371351
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -102.250978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.250978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.250978 (E_RNA)
where:
Base-Base interactions energy: -45.265
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.170
local terms energy: -56.816103
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -6.670
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: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -89.463992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.463992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.463992 (E_RNA)
where:
Base-Base interactions energy: -34.429
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.210
local terms energy: -54.824427
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -6.532
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: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -87.125490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125490 (E_RNA)
where:
Base-Base interactions energy: -36.626
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.202
local terms energy: -50.298045
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: 0.264
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: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -254.675917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.675917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.675917 (E_RNA)
where:
Base-Base interactions energy: -175.090
where: short stacking energy: -76.837
Base-Backbone interact. energy: -0.605
local terms energy: -78.980725
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -244.238080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.238080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.238080 (E_RNA)
where:
Base-Base interactions energy: -167.693
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.979
local terms energy: -75.566214
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -17.402
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: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -238.278158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.278158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.278158 (E_RNA)
where:
Base-Base interactions energy: -161.355
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.783
local terms energy: -76.140975
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -226.983202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.983202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.983202 (E_RNA)
where:
Base-Base interactions energy: -154.986
where: short stacking energy: -73.803
Base-Backbone interact. energy: -0.006
local terms energy: -71.991048
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.529
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: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -171.040563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.040563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.040563 (E_RNA)
where:
Base-Base interactions energy: -98.330
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.104
local terms energy: -72.606831
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -166.818957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.818957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.818957 (E_RNA)
where:
Base-Base interactions energy: -102.335
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.425
local terms energy: -64.059056
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -12.829
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: 428
Temperature: 1.200000
Total energy: -100.473373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.473373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.473373 (E_RNA)
where:
Base-Base interactions energy: -43.298
where: short stacking energy: -25.026
Base-Backbone interact. energy: -0.397
local terms energy: -56.778210
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: 0.507
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: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -95.814904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814904 (E_RNA)
where:
Base-Base interactions energy: -42.323
where: short stacking energy: -33.209
Base-Backbone interact. energy: -0.126
local terms energy: -53.365217
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -5.223
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: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -95.206862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.206862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.206862 (E_RNA)
where:
Base-Base interactions energy: -41.712
where: short stacking energy: -41.712
Base-Backbone interact. energy: -0.012
local terms energy: -53.483468
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -97.704274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.704274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.704274 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.185
local terms energy: -59.806737
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.769
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -250.698558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.698558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.698558 (E_RNA)
where:
Base-Base interactions energy: -165.600
where: short stacking energy: -78.024
Base-Backbone interact. energy: -1.637
local terms energy: -83.461003
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -12.703
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -244.835478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.835478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.835478 (E_RNA)
where:
Base-Base interactions energy: -162.205
where: short stacking energy: -70.871
Base-Backbone interact. energy: -0.297
local terms energy: -82.332944
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -17.976
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -242.560848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.560848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.560848 (E_RNA)
where:
Base-Base interactions energy: -165.466
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.781
local terms energy: -76.314160
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -232.874840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.874840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.874840 (E_RNA)
where:
Base-Base interactions energy: -157.956
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.357
local terms energy: -74.562042
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -157.648669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.648669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.648669 (E_RNA)
where:
Base-Base interactions energy: -87.304
where: short stacking energy: -58.244
Base-Backbone interact. energy: -0.250
local terms energy: -70.094615
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -8.987
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -167.976032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.976032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.976032 (E_RNA)
where:
Base-Base interactions energy: -98.233
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.194
local terms energy: -69.549809
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -96.736083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.736083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.736083 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.071
local terms energy: -59.615674
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -102.350343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.350343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.350343 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -43.053
Base-Backbone interact. energy: -0.611
local terms energy: -58.686118
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -92.384702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.384702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.384702 (E_RNA)
where:
Base-Base interactions energy: -37.040
where: short stacking energy: -37.040
Base-Backbone interact. energy: -0.005
local terms energy: -55.340402
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -2.752
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: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -89.737118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.737118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.737118 (E_RNA)
where:
Base-Base interactions energy: -47.016
where: short stacking energy: -32.814
Base-Backbone interact. energy: 5.124
local terms energy: -47.845268
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -1.497
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: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -239.413894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.413894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.413894 (E_RNA)
where:
Base-Base interactions energy: -167.205
where: short stacking energy: -72.667
Base-Backbone interact. energy: -0.372
local terms energy: -71.837254
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -245.792112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.792112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.792112 (E_RNA)
where:
Base-Base interactions energy: -169.228
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.218
local terms energy: -76.345842
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -20.866
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: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -241.328984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.328984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.328984 (E_RNA)
where:
Base-Base interactions energy: -161.574
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.523
local terms energy: -79.232022
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -233.550795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.550795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.550795 (E_RNA)
where:
Base-Base interactions energy: -170.225
where: short stacking energy: -68.828
Base-Backbone interact. energy: -0.626
local terms energy: -62.700215
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -179.952098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.952098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.952098 (E_RNA)
where:
Base-Base interactions energy: -104.344
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.836
local terms energy: -74.771695
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -163.083930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.083930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.083930 (E_RNA)
where:
Base-Base interactions energy: -94.506
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.845
local terms energy: -67.732473
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -105.805683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.805683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.805683 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -47.266
Base-Backbone interact. energy: -0.260
local terms energy: -58.279896
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -99.223560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223560 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.227
local terms energy: -61.666829
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -102.900126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.900126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.900126 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.004
local terms energy: -51.474072
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -2.006
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -97.759254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.759254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.759254 (E_RNA)
where:
Base-Base interactions energy: -40.753
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.175
local terms energy: -56.832158
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -254.854825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.854825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.854825 (E_RNA)
where:
Base-Base interactions energy: -166.799
where: short stacking energy: -74.351
Base-Backbone interact. energy: -1.224
local terms energy: -86.831451
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.413
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -246.548707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.548707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.548707 (E_RNA)
where:
Base-Base interactions energy: -161.855
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.483
local terms energy: -84.211376
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -254.304048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.304048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.304048 (E_RNA)
where:
Base-Base interactions energy: -176.218
where: short stacking energy: -83.703
Base-Backbone interact. energy: -0.738
local terms energy: -77.348111
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.855
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -232.695949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.695949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.695949 (E_RNA)
where:
Base-Base interactions energy: -159.402
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.393
local terms energy: -72.901322
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -15.676
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: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -156.638982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.638982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.638982 (E_RNA)
where:
Base-Base interactions energy: -87.059
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.239
local terms energy: -69.341812
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -165.196021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.196021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.196021 (E_RNA)
where:
Base-Base interactions energy: -103.898
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.622
local terms energy: -60.676627
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -98.044134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.044134 (E_RNA)
where:
Base-Base interactions energy: -40.823
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.096
local terms energy: -57.124630
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -8.126
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: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -99.810538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810538 (E_RNA)
where:
Base-Base interactions energy: -49.182
where: short stacking energy: -42.153
Base-Backbone interact. energy: -0.081
local terms energy: -50.548056
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -84.231567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231567 (E_RNA)
where:
Base-Base interactions energy: -36.424
where: short stacking energy: -30.828
Base-Backbone interact. energy: 3.459
local terms energy: -51.266772
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -2.585
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: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -105.211180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211180 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.919
local terms energy: -59.869590
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -7.689
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: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -256.372086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.372086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.372086 (E_RNA)
where:
Base-Base interactions energy: -175.098
where: short stacking energy: -80.715
Base-Backbone interact. energy: 0.567
local terms energy: -81.840822
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -22.212
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -239.788684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.788684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.788684 (E_RNA)
where:
Base-Base interactions energy: -157.537
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.738
local terms energy: -81.514511
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -229.985356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.985356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.985356 (E_RNA)
where:
Base-Base interactions energy: -160.044
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.367
local terms energy: -69.575012
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.748
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -238.368779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.368779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.368779 (E_RNA)
where:
Base-Base interactions energy: -165.857
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.280
local terms energy: -72.232021
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -19.370
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -187.149731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.149731 (E_RNA)
where:
Base-Base interactions energy: -109.264
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.586
local terms energy: -77.299662
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -157.188568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.188568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.188568 (E_RNA)
where:
Base-Base interactions energy: -87.226
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.032
local terms energy: -69.930848
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -11.393
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -122.386778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.386778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.386778 (E_RNA)
where:
Base-Base interactions energy: -69.606
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.518
local terms energy: -52.263141
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.219
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: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -99.374450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374450 (E_RNA)
where:
Base-Base interactions energy: -46.058
where: short stacking energy: -36.400
Base-Backbone interact. energy: 0.716
local terms energy: -54.032386
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -4.565
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: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -91.234190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.234190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.234190 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.465
local terms energy: -57.842287
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -87.060795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.060795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.060795 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -30.786
Base-Backbone interact. energy: -0.113
local terms energy: -56.162321
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -254.818967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.818967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.818967 (E_RNA)
where:
Base-Base interactions energy: -168.116
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.698
local terms energy: -86.004594
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.540
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: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -235.212413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.212413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.212413 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -69.387
Base-Backbone interact. energy: -1.084
local terms energy: -77.732664
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -236.238049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.238049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.238049 (E_RNA)
where:
Base-Base interactions energy: -158.961
where: short stacking energy: -64.708
Base-Backbone interact. energy: 1.055
local terms energy: -78.332002
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -242.824027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.824027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.824027 (E_RNA)
where:
Base-Base interactions energy: -156.888
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.191
local terms energy: -85.744642
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -12.548
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: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -188.509675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.509675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509675 (E_RNA)
where:
Base-Base interactions energy: -108.602
where: short stacking energy: -61.678
Base-Backbone interact. energy: 0.747
local terms energy: -80.655097
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -19.936
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: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -145.033837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.033837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.033837 (E_RNA)
where:
Base-Base interactions energy: -77.244
where: short stacking energy: -46.318
Base-Backbone interact. energy: -0.241
local terms energy: -67.548202
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -110.926019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.926019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.926019 (E_RNA)
where:
Base-Base interactions energy: -46.676
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.107
local terms energy: -64.143179
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.812
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: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -90.262242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.262242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.262242 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.255
local terms energy: -55.123000
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.488
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: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -90.245382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.245382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.245382 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.156
local terms energy: -55.015396
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -85.596094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596094 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.525
local terms energy: -53.557381
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -1.890
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: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -254.318849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.318849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.318849 (E_RNA)
where:
Base-Base interactions energy: -177.846
where: short stacking energy: -77.683
Base-Backbone interact. energy: -0.603
local terms energy: -75.870139
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -243.950184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.950184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.950184 (E_RNA)
where:
Base-Base interactions energy: -171.386
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.272
local terms energy: -72.291501
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -245.148219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.148219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.148219 (E_RNA)
where:
Base-Base interactions energy: -169.374
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.971
local terms energy: -74.802928
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -14.038
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: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -236.091885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.091885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.091885 (E_RNA)
where:
Base-Base interactions energy: -161.789
where: short stacking energy: -76.757
Base-Backbone interact. energy: -0.565
local terms energy: -73.738645
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -184.199543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.199543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.199543 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -69.050
Base-Backbone interact. energy: 0.715
local terms energy: -69.582980
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.498
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: 434
Temperature: 1.150000
Total energy: -137.717385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.717385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.717385 (E_RNA)
where:
Base-Base interactions energy: -76.507
where: short stacking energy: -30.886
Base-Backbone interact. energy: -0.065
local terms energy: -61.144862
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -1.652
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: 434
Temperature: 1.200000
Total energy: -99.934297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.934297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.934297 (E_RNA)
where:
Base-Base interactions energy: -47.481
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.515
local terms energy: -51.938331
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.023
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: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -93.404028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.404028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.404028 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -30.587
Base-Backbone interact. energy: -0.042
local terms energy: -59.017848
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -89.543260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.543260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.543260 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.241
local terms energy: -58.269795
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -4.508
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: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -95.802797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802797 (E_RNA)
where:
Base-Base interactions energy: -42.358
where: short stacking energy: -17.165
Base-Backbone interact. energy: -0.192
local terms energy: -53.252394
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -255.919452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.919452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.919452 (E_RNA)
where:
Base-Base interactions energy: -173.315
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.390
local terms energy: -82.214132
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -19.480
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -253.925140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.925140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.925140 (E_RNA)
where:
Base-Base interactions energy: -174.111
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.053
local terms energy: -79.761828
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.699
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: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -242.297559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.297559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.297559 (E_RNA)
where:
Base-Base interactions energy: -167.241
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.634
local terms energy: -74.422611
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.730
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: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -237.729078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.729078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.729078 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -71.760
Base-Backbone interact. energy: -0.288
local terms energy: -73.709027
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -182.388951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388951 (E_RNA)
where:
Base-Base interactions energy: -111.475
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.407
local terms energy: -70.506846
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -105.817836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817836 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.331
local terms energy: -65.162188
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -107.039230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.039230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.039230 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -24.996
Base-Backbone interact. energy: 0.333
local terms energy: -65.070436
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -0.101
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: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -93.589447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589447 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.292
local terms energy: -56.498904
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -13.383
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: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -84.692733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692733 (E_RNA)
where:
Base-Base interactions energy: -28.443
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.889
local terms energy: -55.360861
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -2.818
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -83.800438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800438 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -26.003
Base-Backbone interact. energy: -0.267
local terms energy: -54.465273
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -257.341784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.341784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.341784 (E_RNA)
where:
Base-Base interactions energy: -175.094
where: short stacking energy: -78.990
Base-Backbone interact. energy: -1.303
local terms energy: -80.944395
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -245.221964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.221964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.221964 (E_RNA)
where:
Base-Base interactions energy: -170.175
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.964
local terms energy: -74.082460
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -236.763115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.763115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.763115 (E_RNA)
where:
Base-Base interactions energy: -160.586
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.291
local terms energy: -75.886509
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -230.983318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.983318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983318 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.536
local terms energy: -76.371379
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -20.782
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: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -199.333021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.333021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.333021 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.047
local terms energy: -76.503319
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.219
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: 436
Temperature: 1.150000
Total energy: -100.703838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.703838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.703838 (E_RNA)
where:
Base-Base interactions energy: -45.878
where: short stacking energy: -40.025
Base-Backbone interact. energy: -0.013
local terms energy: -54.813308
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -2.057
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: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -105.561587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.561587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.561587 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.191
local terms energy: -66.808558
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -7.718
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: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -117.031521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.031521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.031521 (E_RNA)
where:
Base-Base interactions energy: -57.040
where: short stacking energy: -34.103
Base-Backbone interact. energy: 1.363
local terms energy: -61.355355
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -98.138193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.138193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.138193 (E_RNA)
where:
Base-Base interactions energy: -46.177
where: short stacking energy: -24.456
Base-Backbone interact. energy: -0.211
local terms energy: -51.750424
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: 4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -93.957192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.957192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.957192 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.228
local terms energy: -52.955756
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -253.200509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.200509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.200509 (E_RNA)
where:
Base-Base interactions energy: -168.728
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.456
local terms energy: -84.016416
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.550
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -238.660113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.660113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.660113 (E_RNA)
where:
Base-Base interactions energy: -161.085
where: short stacking energy: -68.673
Base-Backbone interact. energy: -0.376
local terms energy: -77.198701
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -235.865394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.865394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.865394 (E_RNA)
where:
Base-Base interactions energy: -155.779
where: short stacking energy: -64.356
Base-Backbone interact. energy: 0.236
local terms energy: -80.322371
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -204.954374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.954374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.954374 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -64.174
Base-Backbone interact. energy: 1.364
local terms energy: -76.198097
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -227.088069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.088069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.088069 (E_RNA)
where:
Base-Base interactions energy: -154.402
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.406
local terms energy: -72.279964
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -117.335585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.335585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.335585 (E_RNA)
where:
Base-Base interactions energy: -54.774
where: short stacking energy: -53.355
Base-Backbone interact. energy: -1.197
local terms energy: -61.364311
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -15.700
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: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -94.074200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.074200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.074200 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -31.170
Base-Backbone interact. energy: -0.018
local terms energy: -62.886042
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -100.624250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.624250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.624250 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.115
local terms energy: -58.261329
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.360982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.360982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.360982 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -33.768
Base-Backbone interact. energy: -1.273
local terms energy: -54.456675
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.245
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: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -78.749542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749542 (E_RNA)
where:
Base-Base interactions energy: -25.679
where: short stacking energy: -25.679
Base-Backbone interact. energy: -0.226
local terms energy: -52.844444
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -240.871905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.871905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.871905 (E_RNA)
where:
Base-Base interactions energy: -163.262
where: short stacking energy: -64.610
Base-Backbone interact. energy: -0.181
local terms energy: -77.428565
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -17.809
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: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -243.232481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.232481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.232481 (E_RNA)
where:
Base-Base interactions energy: -163.397
where: short stacking energy: -73.231
Base-Backbone interact. energy: 0.648
local terms energy: -80.484297
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -17.919
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: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -215.542311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.542311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.542311 (E_RNA)
where:
Base-Base interactions energy: -133.976
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.540
local terms energy: -81.026082
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -219.202264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202264 (E_RNA)
where:
Base-Base interactions energy: -146.879
where: short stacking energy: -61.590
Base-Backbone interact. energy: -1.500
local terms energy: -70.823257
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -237.673867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.673867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.673867 (E_RNA)
where:
Base-Base interactions energy: -165.663
where: short stacking energy: -81.245
Base-Backbone interact. energy: -1.388
local terms energy: -70.622888
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -112.040684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.040684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.040684 (E_RNA)
where:
Base-Base interactions energy: -51.912
where: short stacking energy: -48.727
Base-Backbone interact. energy: 0.350
local terms energy: -60.478660
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -6.407
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: 438
Temperature: 1.200000
Total energy: -104.314181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.314181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.314181 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -40.832
Base-Backbone interact. energy: -0.048
local terms energy: -62.519560
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -103.647740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647740 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.295
local terms energy: -59.719978
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -95.426070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.426070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.426070 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -36.725
Base-Backbone interact. energy: 0.515
local terms energy: -59.216633
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -9.193
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -93.002432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.002432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.002432 (E_RNA)
where:
Base-Base interactions energy: -40.944
where: short stacking energy: -36.395
Base-Backbone interact. energy: 0.347
local terms energy: -52.405837
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -250.852919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.852919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.852919 (E_RNA)
where:
Base-Base interactions energy: -168.090
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.855
local terms energy: -81.908443
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -247.359047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.359047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.359047 (E_RNA)
where:
Base-Base interactions energy: -164.909
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.346
local terms energy: -82.104386
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -214.731106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.731106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.731106 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -75.769
Base-Backbone interact. energy: -0.508
local terms energy: -78.548769
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -19.252
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: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -227.452673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.452673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.452673 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.225
local terms energy: -79.889504
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -223.719540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.719540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.719540 (E_RNA)
where:
Base-Base interactions energy: -149.261
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.118
local terms energy: -74.340655
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -96.251428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.251428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.251428 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -33.622
Base-Backbone interact. energy: -0.219
local terms energy: -58.363556
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -6.455
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: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -102.205635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.205635 (E_RNA)
where:
Base-Base interactions energy: -40.407
where: short stacking energy: -36.835
Base-Backbone interact. energy: -0.182
local terms energy: -61.616758
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -6.287
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: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -90.045372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045372 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -29.291
Base-Backbone interact. energy: 3.007
local terms energy: -59.436638
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -97.889023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.889023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.889023 (E_RNA)
where:
Base-Base interactions energy: -48.235
where: short stacking energy: -21.565
Base-Backbone interact. energy: -0.093
local terms energy: -49.561257
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -80.341307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341307 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.027
local terms energy: -51.857774
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -253.679770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.679770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.679770 (E_RNA)
where:
Base-Base interactions energy: -174.434
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.185
local terms energy: -79.061146
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -250.256530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.256530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.256530 (E_RNA)
where:
Base-Base interactions energy: -168.035
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.296
local terms energy: -81.926018
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -16.996
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: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -229.426536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.426536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.426536 (E_RNA)
where:
Base-Base interactions energy: -153.524
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.251
local terms energy: -75.651500
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -18.362
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: 440
Temperature: 1.050000
Total energy: -208.729091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.729091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.729091 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.115
local terms energy: -71.586874
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -223.262059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.262059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.262059 (E_RNA)
where:
Base-Base interactions energy: -151.071
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.585
local terms energy: -71.605817
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -101.715296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.715296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.715296 (E_RNA)
where:
Base-Base interactions energy: -43.502
where: short stacking energy: -43.502
Base-Backbone interact. energy: -0.191
local terms energy: -58.021606
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -8.400
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: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -96.523968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.523968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.523968 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.041
local terms energy: -50.575845
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -4.546
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -100.983430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.983430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.983430 (E_RNA)
where:
Base-Base interactions energy: -41.392
where: short stacking energy: -31.445
Base-Backbone interact. energy: 0.063
local terms energy: -59.654781
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -95.464296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.464296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.464296 (E_RNA)
where:
Base-Base interactions energy: -37.136
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.360
local terms energy: -57.968405
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -82.062773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.062773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.062773 (E_RNA)
where:
Base-Base interactions energy: -35.753
where: short stacking energy: -26.798
Base-Backbone interact. energy: -0.098
local terms energy: -46.211368
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -3.529
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: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -253.840812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.840812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.840812 (E_RNA)
where:
Base-Base interactions energy: -175.447
where: short stacking energy: -75.045
Base-Backbone interact. energy: -0.139
local terms energy: -78.254078
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -242.014202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.014202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.014202 (E_RNA)
where:
Base-Base interactions energy: -164.899
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.341
local terms energy: -76.773571
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -10.254
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -238.906324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.906324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.906324 (E_RNA)
where:
Base-Base interactions energy: -158.552
where: short stacking energy: -74.279
Base-Backbone interact. energy: 1.653
local terms energy: -82.007892
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -230.293004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.293004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.293004 (E_RNA)
where:
Base-Base interactions energy: -154.457
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.242
local terms energy: -75.594155
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -204.631172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.631172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.631172 (E_RNA)
where:
Base-Base interactions energy: -127.752
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.437
local terms energy: -76.442152
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -121.590477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.590477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.590477 (E_RNA)
where:
Base-Base interactions energy: -53.467
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.094
local terms energy: -68.029529
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -99.508528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.508528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.508528 (E_RNA)
where:
Base-Base interactions energy: -40.759
where: short stacking energy: -40.759
Base-Backbone interact. energy: -0.127
local terms energy: -58.623030
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.226
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: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -115.377120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.377120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.377120 (E_RNA)
where:
Base-Base interactions energy: -56.451
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.003
local terms energy: -58.922763
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -90.884101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.884101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.884101 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -25.923
Base-Backbone interact. energy: 1.689
local terms energy: -51.036953
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -7.328
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: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -81.909490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.909490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.909490 (E_RNA)
where:
Base-Base interactions energy: -30.400
where: short stacking energy: -30.811
Base-Backbone interact. energy: 1.061
local terms energy: -52.570341
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -1.046
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: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -256.653070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.653070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.653070 (E_RNA)
where:
Base-Base interactions energy: -175.843
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.879
local terms energy: -79.930981
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -248.149324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.149324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.149324 (E_RNA)
where:
Base-Base interactions energy: -164.975
where: short stacking energy: -69.188
Base-Backbone interact. energy: -0.585
local terms energy: -82.589898
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.900
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: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -246.166106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.166106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.166106 (E_RNA)
where:
Base-Base interactions energy: -166.372
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.491
local terms energy: -79.303339
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -241.341234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.341234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.341234 (E_RNA)
where:
Base-Base interactions energy: -169.123
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.068
local terms energy: -72.150920
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -11.172
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: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -189.242645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.242645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.242645 (E_RNA)
where:
Base-Base interactions energy: -109.382
where: short stacking energy: -63.301
Base-Backbone interact. energy: 0.096
local terms energy: -79.956219
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -108.362711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.362711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.362711 (E_RNA)
where:
Base-Base interactions energy: -46.602
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.185
local terms energy: -61.575317
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -107.746549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.746549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.746549 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -45.784
Base-Backbone interact. energy: -0.100
local terms energy: -59.254446
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -6.553
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: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -93.289927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289927 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -34.123
Base-Backbone interact. energy: -0.141
local terms energy: -56.001816
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -97.418053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418053 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -33.793
Base-Backbone interact. energy: -0.065
local terms energy: -62.107769
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -2.433
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: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -95.880274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.880274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.880274 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.925
local terms energy: -54.165810
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -256.030536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.030536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.030536 (E_RNA)
where:
Base-Base interactions energy: -174.624
where: short stacking energy: -74.169
Base-Backbone interact. energy: 0.800
local terms energy: -82.207034
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -245.344962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.344962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.344962 (E_RNA)
where:
Base-Base interactions energy: -167.091
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.303
local terms energy: -77.951342
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -243.003162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.003162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.003162 (E_RNA)
where:
Base-Base interactions energy: -165.408
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.466
local terms energy: -77.129479
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -243.879698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.879698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.879698 (E_RNA)
where:
Base-Base interactions energy: -166.063
where: short stacking energy: -76.163
Base-Backbone interact. energy: -0.254
local terms energy: -77.563368
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -16.893
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: 443
Temperature: 1.100000
Total energy: -200.715204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.715204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.715204 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -69.813
Base-Backbone interact. energy: -0.001
local terms energy: -70.784189
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -17.832
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: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -114.734615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.734615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.734615 (E_RNA)
where:
Base-Base interactions energy: -58.471
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.021
local terms energy: -56.242588
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -127.276581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.276581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.276581 (E_RNA)
where:
Base-Base interactions energy: -68.458
where: short stacking energy: -37.442
Base-Backbone interact. energy: 1.080
local terms energy: -59.899095
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.756226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756226 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.032
local terms energy: -51.773575
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -93.397871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.397871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.397871 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -34.456
Base-Backbone interact. energy: 1.774
local terms energy: -60.715106
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.335456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335456 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.517
local terms energy: -47.637910
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -7.798
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -250.098194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.098194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.098194 (E_RNA)
where:
Base-Base interactions energy: -173.173
where: short stacking energy: -71.424
Base-Backbone interact. energy: -0.186
local terms energy: -76.739511
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -249.236042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.236042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.236042 (E_RNA)
where:
Base-Base interactions energy: -170.315
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.335
local terms energy: -78.586176
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -237.113170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.113170 (E_RNA)
where:
Base-Base interactions energy: -157.683
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.310
local terms energy: -79.120914
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -243.106825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.106825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.106825 (E_RNA)
where:
Base-Base interactions energy: -161.397
where: short stacking energy: -71.132
Base-Backbone interact. energy: -0.687
local terms energy: -81.023085
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -169.655060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.655060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.655060 (E_RNA)
where:
Base-Base interactions energy: -101.745
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.103
local terms energy: -67.807498
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -13.003
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: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -110.095302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.095302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.095302 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -40.093
Base-Backbone interact. energy: -0.093
local terms energy: -69.909217
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -110.983113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.983113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.983113 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.239
local terms energy: -65.067494
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -8.298
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -97.131853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.131853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.131853 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -36.189
Base-Backbone interact. energy: 0.260
local terms energy: -56.319245
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.068
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: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -129.570029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.570029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.570029 (E_RNA)
where:
Base-Base interactions energy: -72.771
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.434
local terms energy: -56.364567
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -93.474552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.474552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.474552 (E_RNA)
where:
Base-Base interactions energy: -50.809
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.877
local terms energy: -41.788522
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -8.062
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -2.081
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: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -247.255915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.255915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.255915 (E_RNA)
where:
Base-Base interactions energy: -172.095
where: short stacking energy: -70.207
Base-Backbone interact. energy: 2.636
local terms energy: -77.797040
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -244.919669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.919669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.919669 (E_RNA)
where:
Base-Base interactions energy: -159.024
where: short stacking energy: -81.876
Base-Backbone interact. energy: -0.680
local terms energy: -85.215397
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -246.613435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.613435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.613435 (E_RNA)
where:
Base-Base interactions energy: -169.929
where: short stacking energy: -77.176
Base-Backbone interact. energy: -1.024
local terms energy: -75.660220
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -226.720388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.720388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.720388 (E_RNA)
where:
Base-Base interactions energy: -154.021
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.806
local terms energy: -71.893773
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -15.119
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -209.203746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.203746 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.593
local terms energy: -78.471899
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -19.054
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -122.574067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.574067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.574067 (E_RNA)
where:
Base-Base interactions energy: -61.149
where: short stacking energy: -44.475
Base-Backbone interact. energy: -0.048
local terms energy: -61.376703
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -98.532090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.532090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.532090 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.281
local terms energy: -62.216003
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -3.433
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: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -92.640302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.640302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.640302 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.141
local terms energy: -56.502645
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -106.363265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363265 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.126
local terms energy: -64.555528
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -88.799751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.799751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.799751 (E_RNA)
where:
Base-Base interactions energy: -41.567
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.241
local terms energy: -46.991033
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -0.686
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -255.694130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.694130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.694130 (E_RNA)
where:
Base-Base interactions energy: -174.045
where: short stacking energy: -79.969
Base-Backbone interact. energy: -2.232
local terms energy: -79.416141
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -240.506335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.506335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.506335 (E_RNA)
where:
Base-Base interactions energy: -167.457
where: short stacking energy: -65.466
Base-Backbone interact. energy: -1.105
local terms energy: -71.944960
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -238.636172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.636172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.636172 (E_RNA)
where:
Base-Base interactions energy: -159.477
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.380
local terms energy: -78.778848
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.765
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: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -232.367600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.367600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.367600 (E_RNA)
where:
Base-Base interactions energy: -160.392
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.321
local terms energy: -71.654161
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -176.430818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.430818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.430818 (E_RNA)
where:
Base-Base interactions energy: -107.181
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.926
local terms energy: -68.324052
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -107.083556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.083556 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -41.567
Base-Backbone interact. energy: -0.113
local terms energy: -64.771494
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -108.528217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.528217 (E_RNA)
where:
Base-Base interactions energy: -45.184
where: short stacking energy: -45.184
Base-Backbone interact. energy: -0.030
local terms energy: -63.313430
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -9.119
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: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -102.355447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355447 (E_RNA)
where:
Base-Base interactions energy: -50.773
where: short stacking energy: -37.586
Base-Backbone interact. energy: -1.557
local terms energy: -50.025610
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -85.628835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628835 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -26.690
Base-Backbone interact. energy: 0.629
local terms energy: -47.371571
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -88.502194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502194 (E_RNA)
where:
Base-Base interactions energy: -31.995
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.433
local terms energy: -56.074723
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -255.401734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.401734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.401734 (E_RNA)
where:
Base-Base interactions energy: -173.723
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.472
local terms energy: -81.207443
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -244.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.369086 (E_RNA)
where:
Base-Base interactions energy: -159.912
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.368
local terms energy: -84.088479
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.867
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: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -230.735305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.735305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.735305 (E_RNA)
where:
Base-Base interactions energy: -161.760
where: short stacking energy: -68.135
Base-Backbone interact. energy: 0.801
local terms energy: -69.775913
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -15.952
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: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -235.417155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.417155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.417155 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -71.417
Base-Backbone interact. energy: 0.169
local terms energy: -69.207232
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -201.512302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.512302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.512302 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.101
local terms energy: -75.151995
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -116.762120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.762120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.762120 (E_RNA)
where:
Base-Base interactions energy: -68.290
where: short stacking energy: -36.824
Base-Backbone interact. energy: -0.287
local terms energy: -48.185605
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -7.685
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: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -112.101349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.101349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.101349 (E_RNA)
where:
Base-Base interactions energy: -47.000
where: short stacking energy: -45.403
Base-Backbone interact. energy: -0.004
local terms energy: -65.097278
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -91.807756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.807756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.807756 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -37.527
Base-Backbone interact. energy: -0.175
local terms energy: -46.285277
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -2.166
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: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -79.088863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.088863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.088863 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -25.942
Base-Backbone interact. energy: -2.142
local terms energy: -46.498846
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -83.083083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.083083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.083083 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -22.311
Base-Backbone interact. energy: -0.165
local terms energy: -50.569798
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -251.571630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.571630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.571630 (E_RNA)
where:
Base-Base interactions energy: -174.024
where: short stacking energy: -76.773
Base-Backbone interact. energy: -0.674
local terms energy: -76.873779
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -18.937
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: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -250.058622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.058622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.058622 (E_RNA)
where:
Base-Base interactions energy: -175.330
where: short stacking energy: -74.946
Base-Backbone interact. energy: 0.105
local terms energy: -74.832883
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -18.374
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: 448
Temperature: 1.000000
Total energy: -237.659625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.659625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.659625 (E_RNA)
where:
Base-Base interactions energy: -156.959
where: short stacking energy: -75.089
Base-Backbone interact. energy: 0.124
local terms energy: -80.824751
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -8.577
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: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -232.045090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.045090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.045090 (E_RNA)
where:
Base-Base interactions energy: -153.383
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.813
local terms energy: -77.849428
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.993
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: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -201.039906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.039906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.039906 (E_RNA)
where:
Base-Base interactions energy: -118.601
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.639
local terms energy: -81.799910
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -112.561687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.561687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.561687 (E_RNA)
where:
Base-Base interactions energy: -63.704
where: short stacking energy: -38.553
Base-Backbone interact. energy: 0.190
local terms energy: -49.048593
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -115.184957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.184957 (E_RNA)
where:
Base-Base interactions energy: -47.265
where: short stacking energy: -47.265
Base-Backbone interact. energy: -0.016
local terms energy: -67.903606
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -98.359003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.359003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.359003 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -39.716
Base-Backbone interact. energy: -0.287
local terms energy: -58.355668
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -111.703648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.703648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.703648 (E_RNA)
where:
Base-Base interactions energy: -52.385
where: short stacking energy: -42.484
Base-Backbone interact. energy: -0.306
local terms energy: -59.012958
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -14.523
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -91.641685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641685 (E_RNA)
where:
Base-Base interactions energy: -38.100
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.002
local terms energy: -53.539767
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -4.062
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: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -261.105875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105875 (E_RNA)
where:
Base-Base interactions energy: -181.690
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.292
local terms energy: -79.123988
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -253.661674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.661674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.661674 (E_RNA)
where:
Base-Base interactions energy: -169.939
where: short stacking energy: -82.337
Base-Backbone interact. energy: -0.328
local terms energy: -83.394093
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -243.093228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.093228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.093228 (E_RNA)
where:
Base-Base interactions energy: -167.581
where: short stacking energy: -73.902
Base-Backbone interact. energy: -1.435
local terms energy: -74.077247
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -210.603008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.603008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.603008 (E_RNA)
where:
Base-Base interactions energy: -130.733
where: short stacking energy: -67.313
Base-Backbone interact. energy: 0.500
local terms energy: -80.369489
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -225.173699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.173699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.173699 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.936
local terms energy: -71.227313
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -108.690337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.690337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.690337 (E_RNA)
where:
Base-Base interactions energy: -42.303
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.158
local terms energy: -66.229136
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -10.425
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: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -110.460737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.460737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.460737 (E_RNA)
where:
Base-Base interactions energy: -49.222
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.179
local terms energy: -61.059389
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -95.312624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312624 (E_RNA)
where:
Base-Base interactions energy: -43.409
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.217
local terms energy: -51.686685
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -9.913
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -88.058003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.058003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.058003 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -33.593
Base-Backbone interact. energy: 1.340
local terms energy: -55.805233
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -7.178
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: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -92.698727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698727 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.115
local terms energy: -53.046986
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -250.744036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.744036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.744036 (E_RNA)
where:
Base-Base interactions energy: -173.302
where: short stacking energy: -78.550
Base-Backbone interact. energy: -2.119
local terms energy: -75.322995
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -249.629938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.629938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.629938 (E_RNA)
where:
Base-Base interactions energy: -172.454
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.468
local terms energy: -76.707399
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -19.377
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -248.199108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.199108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.199108 (E_RNA)
where:
Base-Base interactions energy: -173.698
where: short stacking energy: -85.043
Base-Backbone interact. energy: 1.127
local terms energy: -75.628628
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -220.521968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521968 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -75.244
Base-Backbone interact. energy: -0.947
local terms energy: -89.243213
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -23.285
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: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -226.054697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.054697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.054697 (E_RNA)
where:
Base-Base interactions energy: -148.801
where: short stacking energy: -64.570
Base-Backbone interact. energy: 0.008
local terms energy: -77.261319
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.885
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: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -111.520521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.520521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.520521 (E_RNA)
where:
Base-Base interactions energy: -56.052
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.227
local terms energy: -55.241613
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -5.436
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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -99.681841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.681841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.681841 (E_RNA)
where:
Base-Base interactions energy: -52.486
where: short stacking energy: -40.922
Base-Backbone interact. energy: -0.148
local terms energy: -47.047156
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -96.904767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904767 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.036
local terms energy: -56.739052
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -90.648379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648379 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.007
local terms energy: -53.562957
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -11.392
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -92.972605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.972605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.972605 (E_RNA)
where:
Base-Base interactions energy: -35.244
where: short stacking energy: -35.244
Base-Backbone interact. energy: -0.011
local terms energy: -57.717402
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -5.948
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: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -250.879210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.879210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.879210 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.167
local terms energy: -84.796173
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -13.346
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: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -237.133823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.133823 (E_RNA)
where:
Base-Base interactions energy: -163.023
where: short stacking energy: -68.654
Base-Backbone interact. energy: -0.584
local terms energy: -73.526732
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -245.043641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.043641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.043641 (E_RNA)
where:
Base-Base interactions energy: -168.385
where: short stacking energy: -78.763
Base-Backbone interact. energy: -0.216
local terms energy: -76.442358
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -222.345818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.345818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.345818 (E_RNA)
where:
Base-Base interactions energy: -149.688
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.216
local terms energy: -72.442612
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -11.679
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: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -196.825611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825611 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -65.080
Base-Backbone interact. energy: 0.356
local terms energy: -64.723298
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -111.311020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.311020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.311020 (E_RNA)
where:
Base-Base interactions energy: -46.241
where: short stacking energy: -34.179
Base-Backbone interact. energy: 0.630
local terms energy: -65.699579
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -88.797875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797875 (E_RNA)
where:
Base-Base interactions energy: -31.704
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.043
local terms energy: -57.051669
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -107.142319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.142319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.142319 (E_RNA)
where:
Base-Base interactions energy: -63.327
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.398
local terms energy: -43.416937
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -88.650820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650820 (E_RNA)
where:
Base-Base interactions energy: -33.696
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.434
local terms energy: -54.520150
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -95.371768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.371768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.371768 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -20.486
Base-Backbone interact. energy: -0.025
local terms energy: -56.550507
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -258.009017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.009017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.009017 (E_RNA)
where:
Base-Base interactions energy: -170.077
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.284
local terms energy: -87.647619
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -13.504
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -256.019044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.019044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.019044 (E_RNA)
where:
Base-Base interactions energy: -175.498
where: short stacking energy: -74.874
Base-Backbone interact. energy: -0.222
local terms energy: -80.299517
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -241.579578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.579578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.579578 (E_RNA)
where:
Base-Base interactions energy: -165.930
where: short stacking energy: -76.415
Base-Backbone interact. energy: -0.290
local terms energy: -75.359534
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -19.000
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: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -238.502055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.502055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.502055 (E_RNA)
where:
Base-Base interactions energy: -160.497
where: short stacking energy: -71.395
Base-Backbone interact. energy: -1.059
local terms energy: -76.946646
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -165.097061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.097061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.097061 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -45.293
Base-Backbone interact. energy: 1.615
local terms energy: -62.652300
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -105.817915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817915 (E_RNA)
where:
Base-Base interactions energy: -55.342
where: short stacking energy: -38.565
Base-Backbone interact. energy: -0.216
local terms energy: -50.259779
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -95.743677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.743677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.743677 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -38.054
Base-Backbone interact. energy: -0.071
local terms energy: -55.616994
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -11.394
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: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -98.164936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164936 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.036
local terms energy: -54.173275
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -2.455
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: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -106.495921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.495921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.495921 (E_RNA)
where:
Base-Base interactions energy: -53.589
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.104
local terms energy: -52.803227
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.775
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: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.821287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.821287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.821287 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.091
local terms energy: -46.099693
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: 1.740
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -253.462713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.462713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.462713 (E_RNA)
where:
Base-Base interactions energy: -173.547
where: short stacking energy: -79.735
Base-Backbone interact. energy: 0.886
local terms energy: -80.801373
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -246.517478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.517478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.517478 (E_RNA)
where:
Base-Base interactions energy: -161.948
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.510
local terms energy: -84.058840
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -252.510131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.510131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.510131 (E_RNA)
where:
Base-Base interactions energy: -174.621
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.373
local terms energy: -77.515358
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -234.305918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.305918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.305918 (E_RNA)
where:
Base-Base interactions energy: -157.016
where: short stacking energy: -69.081
Base-Backbone interact. energy: 0.116
local terms energy: -77.405034
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -182.898262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.898262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.898262 (E_RNA)
where:
Base-Base interactions energy: -110.701
where: short stacking energy: -66.949
Base-Backbone interact. energy: -1.553
local terms energy: -70.644910
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -107.278440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.278440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.278440 (E_RNA)
where:
Base-Base interactions energy: -46.248
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.188
local terms energy: -60.842950
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -7.210
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: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -97.116874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.116874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.116874 (E_RNA)
where:
Base-Base interactions energy: -45.143
where: short stacking energy: -45.042
Base-Backbone interact. energy: 1.073
local terms energy: -53.046106
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -6.421
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -86.473336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473336 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.223
local terms energy: -54.441942
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.937
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: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -109.048072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.048072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.048072 (E_RNA)
where:
Base-Base interactions energy: -42.446
where: short stacking energy: -34.122
Base-Backbone interact. energy: 0.673
local terms energy: -67.275028
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.055
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: 453
Temperature: 1.350000
Total energy: -89.682902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682902 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.038
local terms energy: -53.190957
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -3.405
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -248.996264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.996264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.996264 (E_RNA)
where:
Base-Base interactions energy: -165.448
where: short stacking energy: -78.036
Base-Backbone interact. energy: -1.008
local terms energy: -82.540477
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -15.057
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: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -247.787919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.787919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.787919 (E_RNA)
where:
Base-Base interactions energy: -166.985
where: short stacking energy: -75.612
Base-Backbone interact. energy: -0.471
local terms energy: -80.331448
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -250.419396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.419396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.419396 (E_RNA)
where:
Base-Base interactions energy: -174.879
where: short stacking energy: -82.002
Base-Backbone interact. energy: -0.400
local terms energy: -75.141278
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -235.054047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.054047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.054047 (E_RNA)
where:
Base-Base interactions energy: -159.722
where: short stacking energy: -67.736
Base-Backbone interact. energy: -0.303
local terms energy: -75.028731
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -192.741002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.741002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.741002 (E_RNA)
where:
Base-Base interactions energy: -126.003
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.587
local terms energy: -66.150469
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -98.330158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.330158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.330158 (E_RNA)
where:
Base-Base interactions energy: -45.395
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.860
local terms energy: -52.075201
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -0.278
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: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -100.209642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.209642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.209642 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -40.014
Base-Backbone interact. energy: -0.257
local terms energy: -60.038947
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.783830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.783830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.783830 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -28.745
Base-Backbone interact. energy: -0.127
local terms energy: -54.695088
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -6.479
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: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -89.685464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685464 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -26.902
Base-Backbone interact. energy: -0.153
local terms energy: -57.191329
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -89.341457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341457 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.212
local terms energy: -53.821052
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -0.865
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: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -246.835943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.835943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.835943 (E_RNA)
where:
Base-Base interactions energy: -164.260
where: short stacking energy: -81.147
Base-Backbone interact. energy: 1.113
local terms energy: -83.688466
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -243.244905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.244905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.244905 (E_RNA)
where:
Base-Base interactions energy: -164.804
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.553
local terms energy: -77.888360
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -18.181
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -241.286749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.286749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.286749 (E_RNA)
where:
Base-Base interactions energy: -161.048
where: short stacking energy: -69.438
Base-Backbone interact. energy: -1.959
local terms energy: -78.279304
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -241.427835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427835 (E_RNA)
where:
Base-Base interactions energy: -165.237
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.478
local terms energy: -75.712899
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -13.662
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: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -192.029505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.029505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.029505 (E_RNA)
where:
Base-Base interactions energy: -118.919
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.675
local terms energy: -72.435680
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -121.896066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.896066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.896066 (E_RNA)
where:
Base-Base interactions energy: -51.946
where: short stacking energy: -51.946
Base-Backbone interact. energy: -0.049
local terms energy: -69.900987
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -98.180208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.180208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.180208 (E_RNA)
where:
Base-Base interactions energy: -41.180
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.064
local terms energy: -56.936092
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -3.598
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: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.646089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646089 (E_RNA)
where:
Base-Base interactions energy: -25.072
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.689
local terms energy: -60.885096
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -0.553
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: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -108.108482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.108482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.108482 (E_RNA)
where:
Base-Base interactions energy: -53.452
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.005
local terms energy: -54.652038
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -7.405
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: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -85.404384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404384 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.164
local terms energy: -42.691710
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -0.698
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -254.308872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.308872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.308872 (E_RNA)
where:
Base-Base interactions energy: -171.242
where: short stacking energy: -80.437
Base-Backbone interact. energy: -0.576
local terms energy: -82.490377
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -259.752095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.752095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.752095 (E_RNA)
where:
Base-Base interactions energy: -179.498
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.716
local terms energy: -79.538222
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -240.629146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.629146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.629146 (E_RNA)
where:
Base-Base interactions energy: -159.373
where: short stacking energy: -72.578
Base-Backbone interact. energy: -1.224
local terms energy: -80.032180
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -233.005058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.005058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.005058 (E_RNA)
where:
Base-Base interactions energy: -154.715
where: short stacking energy: -69.987
Base-Backbone interact. energy: 0.016
local terms energy: -78.305527
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -178.816947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.816947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.816947 (E_RNA)
where:
Base-Base interactions energy: -99.517
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.046
local terms energy: -79.253609
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -106.790215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.790215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.790215 (E_RNA)
where:
Base-Base interactions energy: -48.218
where: short stacking energy: -46.042
Base-Backbone interact. energy: -0.391
local terms energy: -58.181297
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -121.896110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.896110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.896110 (E_RNA)
where:
Base-Base interactions energy: -56.561
where: short stacking energy: -35.812
Base-Backbone interact. energy: 1.367
local terms energy: -66.702168
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -11.156
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -90.459983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.459983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.459983 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.033
local terms energy: -50.757881
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -0.376
tors. eta vs tors. theta energy: -6.455
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: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -97.778018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.778018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.778018 (E_RNA)
where:
Base-Base interactions energy: -43.446
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.056
local terms energy: -54.276786
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -78.465737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.465737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.465737 (E_RNA)
where:
Base-Base interactions energy: -32.226
where: short stacking energy: -26.887
Base-Backbone interact. energy: -0.321
local terms energy: -45.918429
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -6.700
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -249.695379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.695379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.695379 (E_RNA)
where:
Base-Base interactions energy: -173.598
where: short stacking energy: -73.739
Base-Backbone interact. energy: -0.118
local terms energy: -75.978669
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -248.024201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.024201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.024201 (E_RNA)
where:
Base-Base interactions energy: -172.822
where: short stacking energy: -71.270
Base-Backbone interact. energy: -0.353
local terms energy: -74.849337
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -242.555481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.555481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.555481 (E_RNA)
where:
Base-Base interactions energy: -166.894
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.492
local terms energy: -75.169633
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -18.519
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: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -242.232112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.232112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.232112 (E_RNA)
where:
Base-Base interactions energy: -168.020
where: short stacking energy: -73.425
Base-Backbone interact. energy: -0.223
local terms energy: -73.989687
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -207.875266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.875266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.875266 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.764
local terms energy: -64.580876
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -17.300
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -110.514721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.514721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.514721 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.080
local terms energy: -62.846469
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.137
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: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -116.798684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.798684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.798684 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.504
local terms energy: -62.484318
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -4.689
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: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -90.331887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331887 (E_RNA)
where:
Base-Base interactions energy: -36.236
where: short stacking energy: -36.236
Base-Backbone interact. energy: -0.124
local terms energy: -53.972124
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -0.953
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: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -91.327974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.327974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.327974 (E_RNA)
where:
Base-Base interactions energy: -47.107
where: short stacking energy: -36.532
Base-Backbone interact. energy: 1.676
local terms energy: -45.896871
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -2.790
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: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.153173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.153173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.153173 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.007
local terms energy: -42.336604
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: 3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -257.058138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.058138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.058138 (E_RNA)
where:
Base-Base interactions energy: -171.671
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.875
local terms energy: -84.512524
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -251.389155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.389155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.389155 (E_RNA)
where:
Base-Base interactions energy: -173.943
where: short stacking energy: -70.857
Base-Backbone interact. energy: -2.659
local terms energy: -74.786566
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -240.025521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.025521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.025521 (E_RNA)
where:
Base-Base interactions energy: -155.906
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.170
local terms energy: -83.949190
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -240.908558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.908558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.908558 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -72.917
Base-Backbone interact. energy: -0.578
local terms energy: -78.308715
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.990
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -199.139406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.139406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.139406 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.023
local terms energy: -79.806912
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -19.570
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -111.380492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.380492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.380492 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -43.404
Base-Backbone interact. energy: -0.265
local terms energy: -61.307796
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -98.052835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052835 (E_RNA)
where:
Base-Base interactions energy: -37.758
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.127
local terms energy: -60.167857
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -90.155950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155950 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -21.695
Base-Backbone interact. energy: 0.263
local terms energy: -41.458443
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: 5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -92.268254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.268254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.268254 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -36.016
Base-Backbone interact. energy: -0.091
local terms energy: -56.160484
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -8.837
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: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -84.355820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.355820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.355820 (E_RNA)
where:
Base-Base interactions energy: -27.052
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.186
local terms energy: -57.117956
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -0.413
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: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -244.537597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.537597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.537597 (E_RNA)
where:
Base-Base interactions energy: -168.236
where: short stacking energy: -80.624
Base-Backbone interact. energy: -1.000
local terms energy: -75.302148
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -244.072239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.072239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.072239 (E_RNA)
where:
Base-Base interactions energy: -166.714
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.463
local terms energy: -76.894986
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -8.465
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: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -244.680046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.680046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.680046 (E_RNA)
where:
Base-Base interactions energy: -164.913
where: short stacking energy: -75.032
Base-Backbone interact. energy: -0.278
local terms energy: -79.489287
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -15.487
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -240.327200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.327200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.327200 (E_RNA)
where:
Base-Base interactions energy: -167.128
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.267
local terms energy: -72.932405
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -15.854
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: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -181.647587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.647587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.647587 (E_RNA)
where:
Base-Base interactions energy: -121.064
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.153
local terms energy: -60.430488
where:
bonds (distance) C4'-P energy: -3.530
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -94.228931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.228931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.228931 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.117
local terms energy: -56.264740
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -93.679524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.679524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.679524 (E_RNA)
where:
Base-Base interactions energy: -40.547
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.431
local terms energy: -52.702070
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -94.759975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.759975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.759975 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -31.524
Base-Backbone interact. energy: -0.286
local terms energy: -60.577332
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -100.207488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.207488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.207488 (E_RNA)
where:
Base-Base interactions energy: -45.163
where: short stacking energy: -45.163
Base-Backbone interact. energy: 0.326
local terms energy: -55.370632
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -10.550
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: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -81.713035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.713035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.713035 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.106
local terms energy: -45.531089
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -250.026692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.026692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.026692 (E_RNA)
where:
Base-Base interactions energy: -173.498
where: short stacking energy: -76.697
Base-Backbone interact. energy: -0.465
local terms energy: -76.063294
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -245.270262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270262 (E_RNA)
where:
Base-Base interactions energy: -170.769
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.471
local terms energy: -74.030984
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -16.872
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: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -242.915673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.915673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.915673 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -66.693
Base-Backbone interact. energy: 0.090
local terms energy: -72.900914
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -230.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.452922 (E_RNA)
where:
Base-Base interactions energy: -158.537
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.491
local terms energy: -71.425379
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.953
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: 460
Temperature: 1.100000
Total energy: -203.036211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.036211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036211 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -53.479
Base-Backbone interact. energy: 0.308
local terms energy: -71.763707
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -13.292
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: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -115.561605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.561605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.561605 (E_RNA)
where:
Base-Base interactions energy: -42.703
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.115
local terms energy: -72.743593
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -110.691018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.691018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.691018 (E_RNA)
where:
Base-Base interactions energy: -51.400
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.493
local terms energy: -58.798485
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -91.579067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579067 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.009
local terms energy: -65.231780
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -92.246898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246898 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -28.399
Base-Backbone interact. energy: -0.245
local terms energy: -63.603558
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -3.674
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: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -99.511631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.511631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.511631 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -40.576
Base-Backbone interact. energy: -0.419
local terms energy: -58.516422
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -247.843648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.843648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.843648 (E_RNA)
where:
Base-Base interactions energy: -164.807
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.351
local terms energy: -82.685314
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -248.972336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.972336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.972336 (E_RNA)
where:
Base-Base interactions energy: -167.969
where: short stacking energy: -71.507
Base-Backbone interact. energy: -1.111
local terms energy: -79.892770
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -236.991349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.991349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991349 (E_RNA)
where:
Base-Base interactions energy: -157.330
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.315
local terms energy: -79.345603
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -240.407474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.407474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.407474 (E_RNA)
where:
Base-Base interactions energy: -162.508
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.046
local terms energy: -77.853971
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -210.044038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.044038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.044038 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -74.496
Base-Backbone interact. energy: -0.160
local terms energy: -77.871275
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -109.758824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.758824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.758824 (E_RNA)
where:
Base-Base interactions energy: -44.985
where: short stacking energy: -31.291
Base-Backbone interact. energy: -1.007
local terms energy: -63.767096
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -99.210210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210210 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.367
local terms energy: -57.845679
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -84.705725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.705725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.705725 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -28.671
Base-Backbone interact. energy: 0.155
local terms energy: -52.516398
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -3.688
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: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -95.152893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.152893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.152893 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -35.493
Base-Backbone interact. energy: 1.542
local terms energy: -61.200996
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -4.901
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: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -84.760639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.760639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.760639 (E_RNA)
where:
Base-Base interactions energy: -35.636
where: short stacking energy: -21.987
Base-Backbone interact. energy: -0.230
local terms energy: -48.895229
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.427
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: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -251.344894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.344894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.344894 (E_RNA)
where:
Base-Base interactions energy: -172.493
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.390
local terms energy: -78.461912
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -238.148771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.148771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.148771 (E_RNA)
where:
Base-Base interactions energy: -160.033
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.411
local terms energy: -77.704574
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -247.941512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.941512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.941512 (E_RNA)
where:
Base-Base interactions energy: -159.619
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.529
local terms energy: -87.793707
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -22.061
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -244.247164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.247164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.247164 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.478
local terms energy: -77.853403
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -195.414840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.414840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.414840 (E_RNA)
where:
Base-Base interactions energy: -126.338
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.537
local terms energy: -68.540104
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -15.138
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: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -117.175713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.175713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.175713 (E_RNA)
where:
Base-Base interactions energy: -55.415
where: short stacking energy: -42.567
Base-Backbone interact. energy: -0.982
local terms energy: -60.778438
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -122.065716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.065716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.065716 (E_RNA)
where:
Base-Base interactions energy: -56.464
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.408
local terms energy: -65.194006
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -90.403082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.403082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.403082 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -25.387
Base-Backbone interact. energy: -1.169
local terms energy: -52.735860
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -95.051077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051077 (E_RNA)
where:
Base-Base interactions energy: -55.407
where: short stacking energy: -37.337
Base-Backbone interact. energy: 5.886
local terms energy: -45.530231
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -6.176
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: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -89.281407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.281407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.281407 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -36.113
Base-Backbone interact. energy: 3.023
local terms energy: -51.609298
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -6.372
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: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -259.790347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.790347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.790347 (E_RNA)
where:
Base-Base interactions energy: -184.177
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.291
local terms energy: -75.322150
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -19.382
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -244.504585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504585 (E_RNA)
where:
Base-Base interactions energy: -167.699
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.504
local terms energy: -76.301160
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.313
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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -241.554941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.554941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.554941 (E_RNA)
where:
Base-Base interactions energy: -167.289
where: short stacking energy: -75.125
Base-Backbone interact. energy: 0.069
local terms energy: -74.334309
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -235.697131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.697131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.697131 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.571
local terms energy: -61.447106
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -199.992934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.992934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.992934 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.223
local terms energy: -70.886019
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -15.954
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -117.664514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.664514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.664514 (E_RNA)
where:
Base-Base interactions energy: -48.518
where: short stacking energy: -47.756
Base-Backbone interact. energy: 0.871
local terms energy: -70.017551
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -11.722
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: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -98.562774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562774 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -37.068
Base-Backbone interact. energy: 0.062
local terms energy: -53.097587
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -11.147
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: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -95.797154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797154 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -36.609
Base-Backbone interact. energy: 0.045
local terms energy: -59.232438
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -4.273
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: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -86.916711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.916711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.916711 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.723
local terms energy: -51.171089
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -4.497
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: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.777579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.777579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.777579 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.366
local terms energy: -48.885758
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -7.163
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: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -251.917261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.917261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.917261 (E_RNA)
where:
Base-Base interactions energy: -166.069
where: short stacking energy: -81.436
Base-Backbone interact. energy: -0.450
local terms energy: -85.398232
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -9.787
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: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -254.129238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.129238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.129238 (E_RNA)
where:
Base-Base interactions energy: -169.805
where: short stacking energy: -80.296
Base-Backbone interact. energy: -0.206
local terms energy: -84.118109
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -235.182347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.182347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.182347 (E_RNA)
where:
Base-Base interactions energy: -156.525
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.267
local terms energy: -78.390865
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -13.546
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: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -240.390641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.390641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.390641 (E_RNA)
where:
Base-Base interactions energy: -163.257
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.407
local terms energy: -76.726213
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -18.839
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -205.157271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.157271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.157271 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.267
local terms energy: -77.077403
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -119.109272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.109272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.109272 (E_RNA)
where:
Base-Base interactions energy: -57.319
where: short stacking energy: -29.658
Base-Backbone interact. energy: 0.618
local terms energy: -62.408159
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -5.749
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: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -97.361691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.361691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.361691 (E_RNA)
where:
Base-Base interactions energy: -40.691
where: short stacking energy: -40.691
Base-Backbone interact. energy: -0.210
local terms energy: -56.461212
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -93.803770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.803770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.803770 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.450
local terms energy: -51.703448
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -79.057935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057935 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -30.399
Base-Backbone interact. energy: -1.553
local terms energy: -47.106873
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -101.348849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.348849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.348849 (E_RNA)
where:
Base-Base interactions energy: -59.176
where: short stacking energy: -39.308
Base-Backbone interact. energy: 1.105
local terms energy: -43.277542
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -2.819
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: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -251.198346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.198346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.198346 (E_RNA)
where:
Base-Base interactions energy: -171.759
where: short stacking energy: -81.006
Base-Backbone interact. energy: -0.915
local terms energy: -78.524123
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -10.959
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: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -241.378774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.378774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.378774 (E_RNA)
where:
Base-Base interactions energy: -169.415
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.345
local terms energy: -71.619011
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -242.170074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170074 (E_RNA)
where:
Base-Base interactions energy: -161.398
where: short stacking energy: -59.919
Base-Backbone interact. energy: 2.054
local terms energy: -82.826170
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -15.787
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -237.304573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.304573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.304573 (E_RNA)
where:
Base-Base interactions energy: -158.834
where: short stacking energy: -75.419
Base-Backbone interact. energy: 0.284
local terms energy: -78.755300
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -183.918927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.918927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918927 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -56.334
Base-Backbone interact. energy: -0.236
local terms energy: -69.438432
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -11.226
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: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -110.742233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.742233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.742233 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.614
local terms energy: -67.714274
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -6.941
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: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -114.806964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.806964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.806964 (E_RNA)
where:
Base-Base interactions energy: -58.410
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.865
local terms energy: -55.532341
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -95.935770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.935770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.935770 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.098
local terms energy: -59.644436
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -6.937
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -94.377544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377544 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.006
local terms energy: -56.393364
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -3.984
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: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -75.413257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.413257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.413257 (E_RNA)
where:
Base-Base interactions energy: -19.391
where: short stacking energy: -19.391
Base-Backbone interact. energy: -1.417
local terms energy: -54.605104
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: 3.264
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: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -246.090541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.090541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.090541 (E_RNA)
where:
Base-Base interactions energy: -168.728
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.393
local terms energy: -76.969940
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -247.912458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.912458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.912458 (E_RNA)
where:
Base-Base interactions energy: -175.166
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.556
local terms energy: -72.190967
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -14.491
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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -239.248330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.248330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.248330 (E_RNA)
where:
Base-Base interactions energy: -159.440
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.264
local terms energy: -79.544556
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.213
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: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -242.747451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.747451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.747451 (E_RNA)
where:
Base-Base interactions energy: -159.926
where: short stacking energy: -74.663
Base-Backbone interact. energy: -0.443
local terms energy: -82.378512
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -208.651521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.651521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.651521 (E_RNA)
where:
Base-Base interactions energy: -128.710
where: short stacking energy: -77.091
Base-Backbone interact. energy: -0.017
local terms energy: -79.923639
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.735
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: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -98.630921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.630921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.630921 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -34.187
Base-Backbone interact. energy: -0.131
local terms energy: -61.945311
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -119.492216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.492216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.492216 (E_RNA)
where:
Base-Base interactions energy: -61.353
where: short stacking energy: -44.273
Base-Backbone interact. energy: 1.199
local terms energy: -59.338104
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -95.883607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883607 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.177
local terms energy: -57.660702
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -93.811927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.811927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.811927 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.544
local terms energy: -56.854720
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.858
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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -98.362330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.362330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.362330 (E_RNA)
where:
Base-Base interactions energy: -47.756
where: short stacking energy: -47.956
Base-Backbone interact. energy: -0.484
local terms energy: -50.121683
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -249.450532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.450532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.450532 (E_RNA)
where:
Base-Base interactions energy: -170.063
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.310
local terms energy: -79.077057
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -19.928
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: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -240.057585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.057585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.057585 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -64.165
Base-Backbone interact. energy: -1.389
local terms energy: -70.579637
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -240.213000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.213000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.213000 (E_RNA)
where:
Base-Base interactions energy: -165.133
where: short stacking energy: -73.548
Base-Backbone interact. energy: -0.726
local terms energy: -74.353762
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -9.146
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: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -244.583110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.583110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.583110 (E_RNA)
where:
Base-Base interactions energy: -169.664
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.433
local terms energy: -74.485881
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -202.186408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.186408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.186408 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.002
local terms energy: -75.233619
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -131.376289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.376289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.376289 (E_RNA)
where:
Base-Base interactions energy: -74.091
where: short stacking energy: -55.557
Base-Backbone interact. energy: 0.730
local terms energy: -58.015858
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -115.603168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.603168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.603168 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.046
local terms energy: -62.482006
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -91.744380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744380 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.202
local terms energy: -55.859423
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -112.480057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.480057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.480057 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.010
local terms energy: -62.995009
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -81.246335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246335 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -22.613
Base-Backbone interact. energy: -0.336
local terms energy: -50.844481
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -11.248
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: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -255.656301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.656301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.656301 (E_RNA)
where:
Base-Base interactions energy: -174.996
where: short stacking energy: -74.749
Base-Backbone interact. energy: -1.142
local terms energy: -79.518080
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.518
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: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -235.191751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.191751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.191751 (E_RNA)
where:
Base-Base interactions energy: -159.741
where: short stacking energy: -74.123
Base-Backbone interact. energy: -0.208
local terms energy: -75.242701
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -237.831277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.831277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.831277 (E_RNA)
where:
Base-Base interactions energy: -159.841
where: short stacking energy: -72.040
Base-Backbone interact. energy: -0.100
local terms energy: -77.890018
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -18.414
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: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -237.957280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.957280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.957280 (E_RNA)
where:
Base-Base interactions energy: -162.844
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.424
local terms energy: -74.688930
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -17.750
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -143.326964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.326964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.326964 (E_RNA)
where:
Base-Base interactions energy: -86.027
where: short stacking energy: -43.347
Base-Backbone interact. energy: -0.741
local terms energy: -56.558791
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -6.574
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -200.574979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574979 (E_RNA)
where:
Base-Base interactions energy: -129.701
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.471
local terms energy: -70.402617
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -100.815424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.815424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.815424 (E_RNA)
where:
Base-Base interactions energy: -36.367
where: short stacking energy: -36.367
Base-Backbone interact. energy: -0.449
local terms energy: -63.999526
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -6.535
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: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -86.848772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848772 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.649
local terms energy: -56.665563
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -4.405
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: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -93.620965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620965 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -26.098
Base-Backbone interact. energy: 0.263
local terms energy: -53.237258
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -87.459306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459306 (E_RNA)
where:
Base-Base interactions energy: -42.611
where: short stacking energy: -24.707
Base-Backbone interact. energy: -0.796
local terms energy: -44.052437
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -251.645999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.645999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.645999 (E_RNA)
where:
Base-Base interactions energy: -173.533
where: short stacking energy: -77.503
Base-Backbone interact. energy: -0.155
local terms energy: -77.957797
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -246.600658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.600658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.600658 (E_RNA)
where:
Base-Base interactions energy: -173.550
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.060
local terms energy: -72.991257
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -233.514157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.514157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.514157 (E_RNA)
where:
Base-Base interactions energy: -152.992
where: short stacking energy: -68.399
Base-Backbone interact. energy: -1.161
local terms energy: -79.361025
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -250.093841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.093841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093841 (E_RNA)
where:
Base-Base interactions energy: -168.138
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.740
local terms energy: -81.214921
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -157.844787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.844787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.844787 (E_RNA)
where:
Base-Base interactions energy: -95.085
where: short stacking energy: -45.112
Base-Backbone interact. energy: -0.661
local terms energy: -62.098274
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -206.806330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.806330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.806330 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.755
local terms energy: -75.793965
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -10.455
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: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -99.358467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.358467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.358467 (E_RNA)
where:
Base-Base interactions energy: -41.513
where: short stacking energy: -41.513
Base-Backbone interact. energy: -0.105
local terms energy: -57.740622
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -99.194740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.194740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.194740 (E_RNA)
where:
Base-Base interactions energy: -49.481
where: short stacking energy: -35.973
Base-Backbone interact. energy: -0.199
local terms energy: -49.514289
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -93.460865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.460865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.460865 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -18.649
Base-Backbone interact. energy: -0.426
local terms energy: -60.118939
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: 0.315
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: 469
Temperature: 1.350000
Total energy: -98.143085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.143085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.143085 (E_RNA)
where:
Base-Base interactions energy: -50.597
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.342
local terms energy: -47.204116
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.341
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: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -253.373632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.373632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.373632 (E_RNA)
where:
Base-Base interactions energy: -170.972
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.333
local terms energy: -82.068260
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -15.869
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: 470
Temperature: 0.950000
Total energy: -243.344455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.344455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.344455 (E_RNA)
where:
Base-Base interactions energy: -166.955
where: short stacking energy: -68.470
Base-Backbone interact. energy: -0.304
local terms energy: -76.084761
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -246.334347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.334347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.334347 (E_RNA)
where:
Base-Base interactions energy: -162.422
where: short stacking energy: -68.928
Base-Backbone interact. energy: -0.146
local terms energy: -83.766073
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -229.333741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333741 (E_RNA)
where:
Base-Base interactions energy: -157.340
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.212
local terms energy: -71.782151
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -17.382
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: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -185.216094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.216094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.216094 (E_RNA)
where:
Base-Base interactions energy: -109.386
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.086
local terms energy: -75.743383
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -132.576179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.576179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.576179 (E_RNA)
where:
Base-Base interactions energy: -81.085
where: short stacking energy: -35.507
Base-Backbone interact. energy: -0.284
local terms energy: -51.207408
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -110.903733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.903733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.903733 (E_RNA)
where:
Base-Base interactions energy: -56.530
where: short stacking energy: -48.363
Base-Backbone interact. energy: -1.109
local terms energy: -53.265079
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -94.043184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.043184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.043184 (E_RNA)
where:
Base-Base interactions energy: -37.844
where: short stacking energy: -32.690
Base-Backbone interact. energy: -1.080
local terms energy: -55.119536
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -0.931
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: 470
Temperature: 1.300000
Total energy: -141.829568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.829568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.829568 (E_RNA)
where:
Base-Base interactions energy: -83.570
where: short stacking energy: -43.173
Base-Backbone interact. energy: 0.846
local terms energy: -59.105391
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -91.413713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413713 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -17.490
Base-Backbone interact. energy: 0.034
local terms energy: -55.353497
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.228
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: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -249.688118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.688118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.688118 (E_RNA)
where:
Base-Base interactions energy: -165.844
where: short stacking energy: -71.795
Base-Backbone interact. energy: 0.381
local terms energy: -84.224847
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -254.705154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.705154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.705154 (E_RNA)
where:
Base-Base interactions energy: -172.648
where: short stacking energy: -79.223
Base-Backbone interact. energy: -0.129
local terms energy: -81.928501
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -17.551
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: 471
Temperature: 1.000000
Total energy: -243.688454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.688454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.688454 (E_RNA)
where:
Base-Base interactions energy: -167.894
where: short stacking energy: -83.848
Base-Backbone interact. energy: -0.086
local terms energy: -75.708736
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -235.618053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.618053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.618053 (E_RNA)
where:
Base-Base interactions energy: -152.420
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.924
local terms energy: -82.273648
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -18.726
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -190.212439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.212439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.212439 (E_RNA)
where:
Base-Base interactions energy: -127.418
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.468
local terms energy: -62.326100
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -12.736
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: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -134.401528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.401528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.401528 (E_RNA)
where:
Base-Base interactions energy: -59.666
where: short stacking energy: -51.047
Base-Backbone interact. energy: -1.116
local terms energy: -73.619102
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -110.534732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.534732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.534732 (E_RNA)
where:
Base-Base interactions energy: -46.017
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.063
local terms energy: -64.454476
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -145.999573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.999573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.999573 (E_RNA)
where:
Base-Base interactions energy: -87.165
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.229
local terms energy: -58.605693
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -1.897
tors. eta vs tors. theta energy: -11.143
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: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -96.498961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.498961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.498961 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -33.556
Base-Backbone interact. energy: -0.054
local terms energy: -60.795715
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -2.464
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: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -89.784057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.784057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.784057 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -36.131
Base-Backbone interact. energy: -0.032
local terms energy: -53.620307
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -6.933
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: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -256.568079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.568079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.568079 (E_RNA)
where:
Base-Base interactions energy: -170.570
where: short stacking energy: -78.153
Base-Backbone interact. energy: -0.233
local terms energy: -85.764460
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -15.342
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: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -244.482595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.482595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.482595 (E_RNA)
where:
Base-Base interactions energy: -163.706
where: short stacking energy: -75.392
Base-Backbone interact. energy: -0.171
local terms energy: -80.606032
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -20.456
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: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -245.146491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.146491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.146491 (E_RNA)
where:
Base-Base interactions energy: -170.103
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.500
local terms energy: -74.543667
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -18.707
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -230.922055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.922055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.922055 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.465
local terms energy: -71.459847
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -207.243991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.243991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.243991 (E_RNA)
where:
Base-Base interactions energy: -134.837
where: short stacking energy: -79.253
Base-Backbone interact. energy: -0.745
local terms energy: -71.661274
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -127.343812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.343812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.343812 (E_RNA)
where:
Base-Base interactions energy: -54.512
where: short stacking energy: -44.298
Base-Backbone interact. energy: -0.011
local terms energy: -72.820302
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -175.690925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.690925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.690925 (E_RNA)
where:
Base-Base interactions energy: -109.161
where: short stacking energy: -54.120
Base-Backbone interact. energy: -1.315
local terms energy: -65.215156
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -99.948045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.948045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.948045 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.011
local terms energy: -63.079888
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -93.799015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799015 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.341
local terms energy: -49.274408
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: 1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -81.845078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845078 (E_RNA)
where:
Base-Base interactions energy: -30.147
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.104
local terms energy: -51.594136
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -250.753624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.753624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.753624 (E_RNA)
where:
Base-Base interactions energy: -169.000
where: short stacking energy: -69.388
Base-Backbone interact. energy: -0.125
local terms energy: -81.628166
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -19.248
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -245.486222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.486222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.486222 (E_RNA)
where:
Base-Base interactions energy: -161.672
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.668
local terms energy: -83.146069
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -237.572900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.572900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.572900 (E_RNA)
where:
Base-Base interactions energy: -160.889
where: short stacking energy: -68.170
Base-Backbone interact. energy: -0.540
local terms energy: -76.144620
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -12.869
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: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -230.173085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.173085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.173085 (E_RNA)
where:
Base-Base interactions energy: -154.979
where: short stacking energy: -74.276
Base-Backbone interact. energy: -0.216
local terms energy: -74.977983
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -206.474574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.474574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.474574 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.360
local terms energy: -76.411735
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -174.307662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.307662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307662 (E_RNA)
where:
Base-Base interactions energy: -109.391
where: short stacking energy: -49.567
Base-Backbone interact. energy: 1.499
local terms energy: -66.415540
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -144.384272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.384272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.384272 (E_RNA)
where:
Base-Base interactions energy: -79.596
where: short stacking energy: -50.719
Base-Backbone interact. energy: -0.939
local terms energy: -63.849319
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -107.634414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.634414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.634414 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.418
local terms energy: -73.367822
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -88.695055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.695055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.695055 (E_RNA)
where:
Base-Base interactions energy: -45.218
where: short stacking energy: -36.861
Base-Backbone interact. energy: 0.729
local terms energy: -44.206880
where:
bonds (distance) C4'-P energy: -7.223
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -1.312
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: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -87.521310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521310 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.065
local terms energy: -49.388557
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -247.818541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.818541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.818541 (E_RNA)
where:
Base-Base interactions energy: -165.205
where: short stacking energy: -78.638
Base-Backbone interact. energy: 0.013
local terms energy: -82.626608
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -249.426531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.426531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.426531 (E_RNA)
where:
Base-Base interactions energy: -165.016
where: short stacking energy: -79.411
Base-Backbone interact. energy: -0.529
local terms energy: -83.880745
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -235.872219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.872219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.872219 (E_RNA)
where:
Base-Base interactions energy: -161.310
where: short stacking energy: -71.370
Base-Backbone interact. energy: 0.152
local terms energy: -74.713704
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -17.876
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: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -240.670939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.670939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.670939 (E_RNA)
where:
Base-Base interactions energy: -163.371
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.593
local terms energy: -76.707252
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -20.172
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: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -181.219267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.219267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.219267 (E_RNA)
where:
Base-Base interactions energy: -106.563
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.708
local terms energy: -73.947747
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.417
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -194.580949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.580949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.580949 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -63.012
Base-Backbone interact. energy: 0.561
local terms energy: -73.879289
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -179.373262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.373262 (E_RNA)
where:
Base-Base interactions energy: -119.379
where: short stacking energy: -62.841
Base-Backbone interact. energy: -1.199
local terms energy: -58.795019
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -104.389670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.389670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.389670 (E_RNA)
where:
Base-Base interactions energy: -50.167
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.087
local terms energy: -54.135131
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -2.430
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: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.253998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.253998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.253998 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.232
local terms energy: -54.787834
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -7.188
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -89.018875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.018875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.018875 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -32.112
Base-Backbone interact. energy: 0.903
local terms energy: -52.804520
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -7.527
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: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -257.656476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.656476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.656476 (E_RNA)
where:
Base-Base interactions energy: -174.168
where: short stacking energy: -78.059
Base-Backbone interact. energy: -0.961
local terms energy: -82.528223
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -8.786
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: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -246.296580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.296580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.296580 (E_RNA)
where:
Base-Base interactions energy: -166.896
where: short stacking energy: -76.578
Base-Backbone interact. energy: -0.307
local terms energy: -79.094047
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -245.793220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.793220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.793220 (E_RNA)
where:
Base-Base interactions energy: -168.418
where: short stacking energy: -69.261
Base-Backbone interact. energy: -1.348
local terms energy: -76.027546
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -239.306617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.306617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.306617 (E_RNA)
where:
Base-Base interactions energy: -162.291
where: short stacking energy: -71.068
Base-Backbone interact. energy: -0.578
local terms energy: -76.437761
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -192.265569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.265569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.265569 (E_RNA)
where:
Base-Base interactions energy: -124.232
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.353
local terms energy: -67.680881
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -14.362
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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -173.342723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342723 (E_RNA)
where:
Base-Base interactions energy: -102.595
where: short stacking energy: -53.622
Base-Backbone interact. energy: -1.273
local terms energy: -69.474937
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -16.556
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: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -184.524205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.524205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524205 (E_RNA)
where:
Base-Base interactions energy: -111.778
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.256
local terms energy: -72.490563
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -104.064751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.064751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.064751 (E_RNA)
where:
Base-Base interactions energy: -59.198
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.990
local terms energy: -43.876718
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: 1.441
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -88.198871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198871 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.169
local terms energy: -43.715584
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -93.584353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.584353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.584353 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.176
local terms energy: -48.353606
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -0.841
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -250.455435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.455435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.455435 (E_RNA)
where:
Base-Base interactions energy: -172.977
where: short stacking energy: -76.906
Base-Backbone interact. energy: -0.446
local terms energy: -77.032096
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -251.919755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.919755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.919755 (E_RNA)
where:
Base-Base interactions energy: -168.294
where: short stacking energy: -66.345
Base-Backbone interact. energy: -0.687
local terms energy: -82.938572
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -240.348465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.348465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.348465 (E_RNA)
where:
Base-Base interactions energy: -161.137
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.596
local terms energy: -78.615746
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -242.245046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.245046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.245046 (E_RNA)
where:
Base-Base interactions energy: -165.292
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.277
local terms energy: -76.676632
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -18.592
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: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -185.397959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.397959 (E_RNA)
where:
Base-Base interactions energy: -116.107
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.249
local terms energy: -69.041535
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -178.033612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.033612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.033612 (E_RNA)
where:
Base-Base interactions energy: -110.327
where: short stacking energy: -51.277
Base-Backbone interact. energy: -0.273
local terms energy: -67.433880
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -183.642061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.642061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.642061 (E_RNA)
where:
Base-Base interactions energy: -118.024
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.320
local terms energy: -65.298066
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -112.847092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.847092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.847092 (E_RNA)
where:
Base-Base interactions energy: -58.942
where: short stacking energy: -35.186
Base-Backbone interact. energy: -0.709
local terms energy: -53.196952
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -85.457687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457687 (E_RNA)
where:
Base-Base interactions energy: -44.694
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.013
local terms energy: -40.750806
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -12.443
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -86.820209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.820209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.820209 (E_RNA)
where:
Base-Base interactions energy: -30.302
where: short stacking energy: -30.302
Base-Backbone interact. energy: 0.955
local terms energy: -57.473085
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -255.042018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.042018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.042018 (E_RNA)
where:
Base-Base interactions energy: -165.976
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.332
local terms energy: -88.734462
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -14.870
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: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -247.101530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.101530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.101530 (E_RNA)
where:
Base-Base interactions energy: -173.468
where: short stacking energy: -81.342
Base-Backbone interact. energy: -0.206
local terms energy: -73.427764
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.451
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: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -245.814696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.814696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.814696 (E_RNA)
where:
Base-Base interactions energy: -162.653
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.398
local terms energy: -82.764160
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.986
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: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -234.564990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.564990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.564990 (E_RNA)
where:
Base-Base interactions energy: -164.341
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.354
local terms energy: -69.870074
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -14.176
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -196.983048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.983048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983048 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.090
local terms energy: -74.356254
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -172.908604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.908604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.908604 (E_RNA)
where:
Base-Base interactions energy: -110.003
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.675
local terms energy: -62.231001
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -13.979
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: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -142.706516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.706516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.706516 (E_RNA)
where:
Base-Base interactions energy: -87.988
where: short stacking energy: -32.401
Base-Backbone interact. energy: 1.547
local terms energy: -56.265455
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -3.228
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: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -103.541581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.541581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.541581 (E_RNA)
where:
Base-Base interactions energy: -46.497
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.686
local terms energy: -56.358596
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -8.106
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: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -82.828023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.828023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.828023 (E_RNA)
where:
Base-Base interactions energy: -25.272
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.092
local terms energy: -57.464136
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -101.405183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.405183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.405183 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.219
local terms energy: -56.258398
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -6.676
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: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -256.006238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.006238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.006238 (E_RNA)
where:
Base-Base interactions energy: -176.751
where: short stacking energy: -86.456
Base-Backbone interact. energy: -0.657
local terms energy: -78.598169
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -251.234756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.234756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.234756 (E_RNA)
where:
Base-Base interactions energy: -162.566
where: short stacking energy: -71.355
Base-Backbone interact. energy: 0.884
local terms energy: -89.552644
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.268
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: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -247.514418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.514418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.514418 (E_RNA)
where:
Base-Base interactions energy: -163.311
where: short stacking energy: -73.892
Base-Backbone interact. energy: 0.167
local terms energy: -84.370397
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -14.534
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -236.726844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.726844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.726844 (E_RNA)
where:
Base-Base interactions energy: -160.905
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.421
local terms energy: -75.401129
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -166.686150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.686150 (E_RNA)
where:
Base-Base interactions energy: -96.523
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.671
local terms energy: -69.492216
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -9.294
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: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -171.879967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.879967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.879967 (E_RNA)
where:
Base-Base interactions energy: -108.100
where: short stacking energy: -36.280
Base-Backbone interact. energy: -0.695
local terms energy: -63.085493
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -120.373927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.373927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.373927 (E_RNA)
where:
Base-Base interactions energy: -53.843
where: short stacking energy: -40.853
Base-Backbone interact. energy: -0.293
local terms energy: -66.238160
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.268
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -103.875657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875657 (E_RNA)
where:
Base-Base interactions energy: -47.768
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.100
local terms energy: -56.007186
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -3.999
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -84.913256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913256 (E_RNA)
where:
Base-Base interactions energy: -24.261
where: short stacking energy: -17.123
Base-Backbone interact. energy: -1.432
local terms energy: -59.220333
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -3.688
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: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -82.973715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973715 (E_RNA)
where:
Base-Base interactions energy: -27.786
where: short stacking energy: -18.180
Base-Backbone interact. energy: -0.113
local terms energy: -55.074800
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -255.579158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.579158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.579158 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.731
local terms energy: -84.640944
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -250.587884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.587884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.587884 (E_RNA)
where:
Base-Base interactions energy: -166.878
where: short stacking energy: -77.014
Base-Backbone interact. energy: -1.194
local terms energy: -82.515165
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -239.092534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.092534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.092534 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.304
local terms energy: -84.101473
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -228.175429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.175429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.175429 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.137
local terms energy: -77.816988
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -167.552420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.552420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.552420 (E_RNA)
where:
Base-Base interactions energy: -92.051
where: short stacking energy: -50.850
Base-Backbone interact. energy: -0.444
local terms energy: -75.057424
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -13.343
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: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -186.595435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.595435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.595435 (E_RNA)
where:
Base-Base interactions energy: -118.326
where: short stacking energy: -50.216
Base-Backbone interact. energy: -1.351
local terms energy: -66.918033
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -124.036964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.036964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.036964 (E_RNA)
where:
Base-Base interactions energy: -62.808
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.445
local terms energy: -60.784016
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -108.152457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.152457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.152457 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -45.512
Base-Backbone interact. energy: -0.737
local terms energy: -63.766459
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -6.112
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: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -123.143540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.143540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.143540 (E_RNA)
where:
Base-Base interactions energy: -72.002
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.302
local terms energy: -50.838986
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -82.090480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.090480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.090480 (E_RNA)
where:
Base-Base interactions energy: -38.462
where: short stacking energy: -18.528
Base-Backbone interact. energy: -0.350
local terms energy: -43.278828
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: 4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -259.136891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.136891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.136891 (E_RNA)
where:
Base-Base interactions energy: -175.958
where: short stacking energy: -84.959
Base-Backbone interact. energy: -0.289
local terms energy: -82.890139
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -251.572054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.572054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572054 (E_RNA)
where:
Base-Base interactions energy: -171.938
where: short stacking energy: -84.205
Base-Backbone interact. energy: -0.476
local terms energy: -79.158273
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -244.946808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.946808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.946808 (E_RNA)
where:
Base-Base interactions energy: -164.298
where: short stacking energy: -76.274
Base-Backbone interact. energy: -0.154
local terms energy: -80.494665
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -20.452
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: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -240.986697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.986697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.986697 (E_RNA)
where:
Base-Base interactions energy: -159.403
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.433
local terms energy: -81.150654
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -194.887703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.887703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.887703 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.183
local terms energy: -75.537157
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -13.869
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: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -188.980809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.980809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.980809 (E_RNA)
where:
Base-Base interactions energy: -118.973
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.942
local terms energy: -69.065153
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -99.118118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.118118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.118118 (E_RNA)
where:
Base-Base interactions energy: -47.867
where: short stacking energy: -46.729
Base-Backbone interact. energy: 1.133
local terms energy: -52.383660
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -83.175809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.175809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.175809 (E_RNA)
where:
Base-Base interactions energy: -28.661
where: short stacking energy: -25.694
Base-Backbone interact. energy: 0.606
local terms energy: -55.120651
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -135.486834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.486834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.486834 (E_RNA)
where:
Base-Base interactions energy: -86.466
where: short stacking energy: -42.339
Base-Backbone interact. energy: 0.136
local terms energy: -49.156043
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -8.688
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: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -103.907616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.907616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.907616 (E_RNA)
where:
Base-Base interactions energy: -57.389
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.308
local terms energy: -46.210267
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -257.024254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.024254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.024254 (E_RNA)
where:
Base-Base interactions energy: -172.363
where: short stacking energy: -79.294
Base-Backbone interact. energy: 0.022
local terms energy: -84.683526
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -11.623
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: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -245.029527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.029527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.029527 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -83.039
Base-Backbone interact. energy: -0.473
local terms energy: -70.294224
where:
bonds (distance) C4'-P energy: -8.394
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.151
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: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -246.708253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.708253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.708253 (E_RNA)
where:
Base-Base interactions energy: -172.602
where: short stacking energy: -78.466
Base-Backbone interact. energy: -0.351
local terms energy: -73.755323
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -236.410289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.410289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.410289 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.304
local terms energy: -79.983417
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.907
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: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -197.416602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.416602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.416602 (E_RNA)
where:
Base-Base interactions energy: -128.257
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.171
local terms energy: -68.988646
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.605
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: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -189.520619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.520619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.520619 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.407
local terms energy: -75.298809
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -112.136398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.136398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.136398 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.085
local terms energy: -68.375783
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -8.835
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -94.630017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.630017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.630017 (E_RNA)
where:
Base-Base interactions energy: -32.283
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.104
local terms energy: -62.243903
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -6.714
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: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -94.074354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.074354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.074354 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.133
local terms energy: -59.459836
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -83.485818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.485818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.485818 (E_RNA)
where:
Base-Base interactions energy: -41.584
where: short stacking energy: -27.971
Base-Backbone interact. energy: 0.364
local terms energy: -42.266400
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: 1.197
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: 482
Temperature: 0.900000
Total energy: -256.487779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.487779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.487779 (E_RNA)
where:
Base-Base interactions energy: -168.568
where: short stacking energy: -80.155
Base-Backbone interact. energy: -0.340
local terms energy: -87.578946
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -244.731109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.731109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.731109 (E_RNA)
where:
Base-Base interactions energy: -171.452
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.358
local terms energy: -72.921019
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -243.988078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.988078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.988078 (E_RNA)
where:
Base-Base interactions energy: -163.510
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.710
local terms energy: -79.768088
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -217.199188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199188 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.457
local terms energy: -75.395301
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -200.938866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.938866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.938866 (E_RNA)
where:
Base-Base interactions energy: -127.611
where: short stacking energy: -55.476
Base-Backbone interact. energy: -1.064
local terms energy: -72.263528
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -194.131827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.131827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.131827 (E_RNA)
where:
Base-Base interactions energy: -124.167
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.831
local terms energy: -69.133959
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -112.457372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.457372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.457372 (E_RNA)
where:
Base-Base interactions energy: -48.257
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.219
local terms energy: -63.981066
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -103.258331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.258331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.258331 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -43.969
Base-Backbone interact. energy: -0.418
local terms energy: -58.694701
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -83.351320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.351320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.351320 (E_RNA)
where:
Base-Base interactions energy: -28.698
where: short stacking energy: -27.905
Base-Backbone interact. energy: -0.257
local terms energy: -54.395791
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -4.335
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: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -95.474367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.474367 (E_RNA)
where:
Base-Base interactions energy: -48.747
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.125
local terms energy: -46.602457
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -3.342
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: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -253.217397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.217397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.217397 (E_RNA)
where:
Base-Base interactions energy: -167.277
where: short stacking energy: -78.517
Base-Backbone interact. energy: -0.326
local terms energy: -85.614982
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -247.468935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.468935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.468935 (E_RNA)
where:
Base-Base interactions energy: -166.218
where: short stacking energy: -75.833
Base-Backbone interact. energy: 0.214
local terms energy: -81.464623
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -245.332823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.332823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.332823 (E_RNA)
where:
Base-Base interactions energy: -159.974
where: short stacking energy: -77.674
Base-Backbone interact. energy: -1.424
local terms energy: -83.934827
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -226.024849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.024849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.024849 (E_RNA)
where:
Base-Base interactions energy: -154.516
where: short stacking energy: -65.046
Base-Backbone interact. energy: 0.501
local terms energy: -72.009609
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -14.873
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: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -195.396693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.396693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.396693 (E_RNA)
where:
Base-Base interactions energy: -122.516
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.029
local terms energy: -72.851549
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -199.469967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.469967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469967 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -74.369
Base-Backbone interact. energy: -0.008
local terms energy: -69.964751
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -21.819
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: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -96.208801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208801 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.547
local terms energy: -52.453145
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -94.632383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.632383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.632383 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -39.649
Base-Backbone interact. energy: -0.085
local terms energy: -54.897814
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -94.259473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259473 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -35.806
Base-Backbone interact. energy: -0.117
local terms energy: -57.475756
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -74.175612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.175612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.175612 (E_RNA)
where:
Base-Base interactions energy: -17.261
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.375
local terms energy: -56.540439
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -2.647
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: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -250.197785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.197785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.197785 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.538
local terms energy: -78.745244
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -243.396372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.396372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.396372 (E_RNA)
where:
Base-Base interactions energy: -162.041
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.818
local terms energy: -80.538211
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.559
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -239.357072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.357072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.357072 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.126
local terms energy: -79.820027
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -239.469420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.469420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.469420 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -72.474
Base-Backbone interact. energy: 0.511
local terms energy: -71.654439
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -20.228
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: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -200.566143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.566143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.566143 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -66.842
Base-Backbone interact. energy: 0.476
local terms energy: -70.325594
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -14.508
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: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -175.452367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.452367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.452367 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.029
local terms energy: -60.750316
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -106.183552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.183552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.183552 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.398
local terms energy: -59.464397
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -101.819748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.819748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.819748 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.373
local terms energy: -51.527234
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -100.115109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115109 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.624
local terms energy: -51.873665
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.202
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: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -99.986233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.986233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.986233 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.065
local terms energy: -65.108758
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -248.961509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.961509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.961509 (E_RNA)
where:
Base-Base interactions energy: -169.846
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.455
local terms energy: -78.660933
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -12.182
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: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -248.823496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.823496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.823496 (E_RNA)
where:
Base-Base interactions energy: -173.790
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.081
local terms energy: -74.952588
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -250.906240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.906240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.906240 (E_RNA)
where:
Base-Base interactions energy: -174.317
where: short stacking energy: -72.462
Base-Backbone interact. energy: 0.914
local terms energy: -77.502615
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -240.591616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.591616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.591616 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.399
local terms energy: -82.323243
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -196.205527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.205527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.205527 (E_RNA)
where:
Base-Base interactions energy: -126.447
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.175
local terms energy: -69.583504
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -18.689
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: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -176.569164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569164 (E_RNA)
where:
Base-Base interactions energy: -106.051
where: short stacking energy: -55.668
Base-Backbone interact. energy: -1.088
local terms energy: -69.430320
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -105.395283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.395283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.395283 (E_RNA)
where:
Base-Base interactions energy: -54.038
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.037
local terms energy: -51.319930
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -10.058
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: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -89.123493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.123493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.123493 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -30.723
Base-Backbone interact. energy: 0.379
local terms energy: -56.778949
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -115.280006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.280006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.280006 (E_RNA)
where:
Base-Base interactions energy: -67.877
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.168
local terms energy: -47.235513
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.385123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.385123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.385123 (E_RNA)
where:
Base-Base interactions energy: -36.900
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.149
local terms energy: -49.336012
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -248.670622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.670622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.670622 (E_RNA)
where:
Base-Base interactions energy: -167.916
where: short stacking energy: -73.544
Base-Backbone interact. energy: 0.030
local terms energy: -80.785105
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -18.704
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -247.950179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.950179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.950179 (E_RNA)
where:
Base-Base interactions energy: -176.796
where: short stacking energy: -74.907
Base-Backbone interact. energy: 0.216
local terms energy: -71.369581
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -240.618687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.618687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.618687 (E_RNA)
where:
Base-Base interactions energy: -167.013
where: short stacking energy: -78.930
Base-Backbone interact. energy: 0.888
local terms energy: -74.493660
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -241.537287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.537287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.537287 (E_RNA)
where:
Base-Base interactions energy: -172.353
where: short stacking energy: -63.075
Base-Backbone interact. energy: -0.267
local terms energy: -68.917314
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -16.296
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: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -181.931692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.931692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.931692 (E_RNA)
where:
Base-Base interactions energy: -114.766
where: short stacking energy: -55.558
Base-Backbone interact. energy: -1.343
local terms energy: -65.823031
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -195.507058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.507058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.507058 (E_RNA)
where:
Base-Base interactions energy: -123.609
where: short stacking energy: -55.715
Base-Backbone interact. energy: -1.242
local terms energy: -70.656593
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -99.132248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.132248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.132248 (E_RNA)
where:
Base-Base interactions energy: -44.602
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.166
local terms energy: -54.364099
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -5.714
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: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -104.585532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.585532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.585532 (E_RNA)
where:
Base-Base interactions energy: -39.771
where: short stacking energy: -37.000
Base-Backbone interact. energy: -0.269
local terms energy: -64.545319
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -90.505541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505541 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.937
local terms energy: -58.393981
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -3.406
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -83.898612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898612 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -21.473
Base-Backbone interact. energy: 1.038
local terms energy: -52.628272
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -249.196977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.196977 (E_RNA)
where:
Base-Base interactions energy: -170.200
where: short stacking energy: -79.785
Base-Backbone interact. energy: 1.303
local terms energy: -80.300245
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -245.159416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.159416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.159416 (E_RNA)
where:
Base-Base interactions energy: -162.741
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.065
local terms energy: -82.352765
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -236.589129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.589129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.589129 (E_RNA)
where:
Base-Base interactions energy: -160.660
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.373
local terms energy: -75.555740
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -240.676048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.676048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.676048 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -64.845
Base-Backbone interact. energy: -0.030
local terms energy: -80.428443
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -160.737351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.737351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.737351 (E_RNA)
where:
Base-Base interactions energy: -97.380
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.662
local terms energy: -62.695300
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -7.601
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: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -201.168328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168328 (E_RNA)
where:
Base-Base interactions energy: -124.777
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.628
local terms energy: -75.763661
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -101.463370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.463370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.463370 (E_RNA)
where:
Base-Base interactions energy: -40.992
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.046
local terms energy: -60.425754
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -5.728
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: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -104.417309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.417309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.417309 (E_RNA)
where:
Base-Base interactions energy: -43.450
where: short stacking energy: -32.134
Base-Backbone interact. energy: -1.087
local terms energy: -59.879527
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -100.174639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.174639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.174639 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -28.674
Base-Backbone interact. energy: 5.258
local terms energy: -62.653637
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -87.382355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382355 (E_RNA)
where:
Base-Base interactions energy: -35.524
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.612
local terms energy: -51.246439
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -251.716282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.716282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.716282 (E_RNA)
where:
Base-Base interactions energy: -171.014
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.344
local terms energy: -80.358263
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -10.025
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: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -257.274734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.274734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.274734 (E_RNA)
where:
Base-Base interactions energy: -166.740
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.889
local terms energy: -89.645433
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -241.598912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.598912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.598912 (E_RNA)
where:
Base-Base interactions energy: -166.794
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.833
local terms energy: -73.971908
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -19.388
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: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -229.276528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.276528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.276528 (E_RNA)
where:
Base-Base interactions energy: -153.854
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.549
local terms energy: -74.874159
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -214.404223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.404223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.404223 (E_RNA)
where:
Base-Base interactions energy: -134.751
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.002
local terms energy: -79.650505
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -167.033215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.033215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.033215 (E_RNA)
where:
Base-Base interactions energy: -103.202
where: short stacking energy: -50.509
Base-Backbone interact. energy: 0.142
local terms energy: -63.973158
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -2.630
tors. eta vs tors. theta energy: -11.926
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: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -114.974005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.974005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.974005 (E_RNA)
where:
Base-Base interactions energy: -50.617
where: short stacking energy: -35.059
Base-Backbone interact. energy: -0.120
local terms energy: -64.236531
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -91.864303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.864303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.864303 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.044
local terms energy: -59.409056
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -99.325740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.325740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.325740 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.160
local terms energy: -67.379443
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.068092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.068092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.068092 (E_RNA)
where:
Base-Base interactions energy: -29.868
where: short stacking energy: -29.868
Base-Backbone interact. energy: -0.122
local terms energy: -55.077639
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -251.676541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.676541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.676541 (E_RNA)
where:
Base-Base interactions energy: -173.252
where: short stacking energy: -73.638
Base-Backbone interact. energy: 0.292
local terms energy: -78.717073
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -8.482
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: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -249.209876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.209876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.209876 (E_RNA)
where:
Base-Base interactions energy: -173.187
where: short stacking energy: -79.410
Base-Backbone interact. energy: -0.625
local terms energy: -75.397559
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -19.877
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -235.819818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.819818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.819818 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.590
local terms energy: -80.321753
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -11.892
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: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -241.220447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.220447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.220447 (E_RNA)
where:
Base-Base interactions energy: -162.429
where: short stacking energy: -63.823
Base-Backbone interact. energy: -0.055
local terms energy: -78.736940
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -201.458548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.458548 (E_RNA)
where:
Base-Base interactions energy: -126.738
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.064
local terms energy: -74.655942
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -12.671
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: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -102.530822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.530822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.530822 (E_RNA)
where:
Base-Base interactions energy: -42.245
where: short stacking energy: -27.535
Base-Backbone interact. energy: -1.165
local terms energy: -59.121648
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -0.317
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: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -164.051177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.051177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.051177 (E_RNA)
where:
Base-Base interactions energy: -101.848
where: short stacking energy: -44.977
Base-Backbone interact. energy: -0.114
local terms energy: -62.089168
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -94.841166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.841166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.841166 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -34.775
Base-Backbone interact. energy: 1.403
local terms energy: -59.134752
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -4.086
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: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -85.812198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812198 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -27.801
Base-Backbone interact. energy: -0.198
local terms energy: -53.639134
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -89.833847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.833847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.833847 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.153
local terms energy: -57.668867
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -259.455343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.455343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.455343 (E_RNA)
where:
Base-Base interactions energy: -178.762
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.312
local terms energy: -80.381564
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -244.594750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.594750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.594750 (E_RNA)
where:
Base-Base interactions energy: -164.528
where: short stacking energy: -72.905
Base-Backbone interact. energy: -1.910
local terms energy: -78.156568
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -249.440334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.440334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.440334 (E_RNA)
where:
Base-Base interactions energy: -166.454
where: short stacking energy: -75.740
Base-Backbone interact. energy: 0.313
local terms energy: -83.298944
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -16.558
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: 490
Temperature: 1.050000
Total energy: -241.910389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.910389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.910389 (E_RNA)
where:
Base-Base interactions energy: -163.551
where: short stacking energy: -83.593
Base-Backbone interact. energy: -0.431
local terms energy: -77.929067
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -203.776821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776821 (E_RNA)
where:
Base-Base interactions energy: -126.796
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.023
local terms energy: -76.957282
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -17.899
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: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -104.652313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.652313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.652313 (E_RNA)
where:
Base-Base interactions energy: -40.907
where: short stacking energy: -40.481
Base-Backbone interact. energy: -0.173
local terms energy: -63.572342
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -5.835
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: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -159.578310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.578310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.578310 (E_RNA)
where:
Base-Base interactions energy: -99.032
where: short stacking energy: -49.101
Base-Backbone interact. energy: -0.811
local terms energy: -59.736054
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -93.949927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.949927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.949927 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -24.703
Base-Backbone interact. energy: -0.411
local terms energy: -62.376485
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -101.506954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.506954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.506954 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -33.631
Base-Backbone interact. energy: -0.684
local terms energy: -48.393167
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -96.330104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.330104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.330104 (E_RNA)
where:
Base-Base interactions energy: -49.779
where: short stacking energy: -28.045
Base-Backbone interact. energy: 0.237
local terms energy: -46.787702
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -254.869496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.869496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.869496 (E_RNA)
where:
Base-Base interactions energy: -163.009
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.966
local terms energy: -90.894548
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -20.533
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: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -238.350150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.350150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.350150 (E_RNA)
where:
Base-Base interactions energy: -161.258
where: short stacking energy: -80.174
Base-Backbone interact. energy: -0.107
local terms energy: -76.985195
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -13.185
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: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -245.363026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.363026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.363026 (E_RNA)
where:
Base-Base interactions energy: -157.544
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.354
local terms energy: -87.465046
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -233.862544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.862544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.862544 (E_RNA)
where:
Base-Base interactions energy: -155.296
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.700
local terms energy: -77.867117
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -214.518466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518466 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.014
local terms energy: -81.404095
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -21.073
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: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -174.111542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.111542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.111542 (E_RNA)
where:
Base-Base interactions energy: -105.607
where: short stacking energy: -40.490
Base-Backbone interact. energy: -0.616
local terms energy: -67.888840
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -12.409
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -93.083083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083083 (E_RNA)
where:
Base-Base interactions energy: -40.050
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.029
local terms energy: -53.004466
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.214
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: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -101.003392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.003392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.003392 (E_RNA)
where:
Base-Base interactions energy: -51.720
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.600
local terms energy: -48.683366
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.102
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: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -92.782266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.782266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.782266 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.124
local terms energy: -44.633554
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -87.146786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146786 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.851
local terms energy: -54.765426
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: 2.870
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: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -252.266692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.266692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.266692 (E_RNA)
where:
Base-Base interactions energy: -168.937
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.360
local terms energy: -82.969258
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -245.727925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.727925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.727925 (E_RNA)
where:
Base-Base interactions energy: -168.444
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.175
local terms energy: -77.108420
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -241.107938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.107938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.107938 (E_RNA)
where:
Base-Base interactions energy: -157.839
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.357
local terms energy: -82.912005
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -226.481358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.481358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.481358 (E_RNA)
where:
Base-Base interactions energy: -159.475
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.720
local terms energy: -66.286470
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -186.977311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.977311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.977311 (E_RNA)
where:
Base-Base interactions energy: -113.432
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.045
local terms energy: -73.500643
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -196.357369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.357369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.357369 (E_RNA)
where:
Base-Base interactions energy: -127.697
where: short stacking energy: -65.199
Base-Backbone interact. energy: -1.082
local terms energy: -67.578273
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -12.539
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: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -104.902159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.902159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.902159 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.062
local terms energy: -64.367597
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -95.966840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.966840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.966840 (E_RNA)
where:
Base-Base interactions energy: -38.855
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.245
local terms energy: -56.867041
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -2.023
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: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -79.593354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.593354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.593354 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -25.901
Base-Backbone interact. energy: -0.378
local terms energy: -48.831155
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -77.686211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.686211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.686211 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -23.546
Base-Backbone interact. energy: -0.391
local terms energy: -49.638938
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: 0.329
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: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -247.829143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.829143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.829143 (E_RNA)
where:
Base-Base interactions energy: -166.383
where: short stacking energy: -80.481
Base-Backbone interact. energy: -0.069
local terms energy: -81.376966
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -243.330414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.330414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.330414 (E_RNA)
where:
Base-Base interactions energy: -168.676
where: short stacking energy: -79.986
Base-Backbone interact. energy: -0.328
local terms energy: -74.325737
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -234.604776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.604776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.604776 (E_RNA)
where:
Base-Base interactions energy: -160.591
where: short stacking energy: -58.255
Base-Backbone interact. energy: 2.008
local terms energy: -76.021452
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -255.846837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.846837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.846837 (E_RNA)
where:
Base-Base interactions energy: -177.945
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.816
local terms energy: -77.086028
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -16.041
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: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -186.989750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.989750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.989750 (E_RNA)
where:
Base-Base interactions energy: -111.337
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.257
local terms energy: -75.395425
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -14.161
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: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -197.366699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.366699 (E_RNA)
where:
Base-Base interactions energy: -129.017
where: short stacking energy: -67.425
Base-Backbone interact. energy: 0.517
local terms energy: -68.866701
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -119.359893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.359893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.359893 (E_RNA)
where:
Base-Base interactions energy: -51.834
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.126
local terms energy: -67.400118
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -105.273852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273852 (E_RNA)
where:
Base-Base interactions energy: -49.461
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.271
local terms energy: -55.541494
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -101.589653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.589653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.589653 (E_RNA)
where:
Base-Base interactions energy: -51.593
where: short stacking energy: -32.858
Base-Backbone interact. energy: 0.074
local terms energy: -50.071351
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -9.666
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: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -88.153660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.153660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.153660 (E_RNA)
where:
Base-Base interactions energy: -39.190
where: short stacking energy: -24.551
Base-Backbone interact. energy: 1.240
local terms energy: -50.204248
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -244.504988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504988 (E_RNA)
where:
Base-Base interactions energy: -164.515
where: short stacking energy: -77.593
Base-Backbone interact. energy: -1.399
local terms energy: -78.590693
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -19.722
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: 494
Temperature: 0.950000
Total energy: -258.054363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.054363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.054363 (E_RNA)
where:
Base-Base interactions energy: -169.672
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.331
local terms energy: -88.050962
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -20.051
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: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -228.196996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.196996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.196996 (E_RNA)
where:
Base-Base interactions energy: -160.976
where: short stacking energy: -74.277
Base-Backbone interact. energy: -0.371
local terms energy: -66.849942
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -242.490965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.490965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.490965 (E_RNA)
where:
Base-Base interactions energy: -172.943
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.231
local terms energy: -69.317098
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -199.174558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.174558 (E_RNA)
where:
Base-Base interactions energy: -125.781
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.061
local terms energy: -73.332340
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -199.298220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.298220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.298220 (E_RNA)
where:
Base-Base interactions energy: -134.722
where: short stacking energy: -67.858
Base-Backbone interact. energy: 1.504
local terms energy: -66.080481
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -118.998640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.998640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.998640 (E_RNA)
where:
Base-Base interactions energy: -50.844
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.014
local terms energy: -68.140741
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -12.466
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: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -91.293790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.293790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.293790 (E_RNA)
where:
Base-Base interactions energy: -30.238
where: short stacking energy: -23.785
Base-Backbone interact. energy: -0.276
local terms energy: -60.779969
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -11.640
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: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -95.976122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976122 (E_RNA)
where:
Base-Base interactions energy: -47.112
where: short stacking energy: -41.130
Base-Backbone interact. energy: -0.075
local terms energy: -48.788879
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -87.502162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.502162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.502162 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -17.154
Base-Backbone interact. energy: -0.194
local terms energy: -52.853351
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.479
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: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -252.360758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.360758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.360758 (E_RNA)
where:
Base-Base interactions energy: -174.229
where: short stacking energy: -81.949
Base-Backbone interact. energy: -0.448
local terms energy: -77.683679
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -249.903034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.903034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.903034 (E_RNA)
where:
Base-Base interactions energy: -172.345
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.288
local terms energy: -77.270791
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.102
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: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -247.008518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.008518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.008518 (E_RNA)
where:
Base-Base interactions energy: -169.096
where: short stacking energy: -78.001
Base-Backbone interact. energy: -0.784
local terms energy: -77.128852
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -228.796110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.796110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.796110 (E_RNA)
where:
Base-Base interactions energy: -152.527
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.232
local terms energy: -76.037783
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -196.417298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.417298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.417298 (E_RNA)
where:
Base-Base interactions energy: -131.242
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.224
local terms energy: -64.951539
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -189.809936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.809936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.809936 (E_RNA)
where:
Base-Base interactions energy: -114.568
where: short stacking energy: -55.753
Base-Backbone interact. energy: -0.204
local terms energy: -75.037097
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -12.082
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: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -105.219044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.219044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.219044 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.457
local terms energy: -50.662305
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -107.460387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.460387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.460387 (E_RNA)
where:
Base-Base interactions energy: -49.815
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.026
local terms energy: -57.619022
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -89.334739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.334739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.334739 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -39.115
Base-Backbone interact. energy: 1.279
local terms energy: -49.515206
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -96.237801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.237801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.237801 (E_RNA)
where:
Base-Base interactions energy: -40.814
where: short stacking energy: -40.814
Base-Backbone interact. energy: -0.011
local terms energy: -55.413003
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -252.721448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.721448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.721448 (E_RNA)
where:
Base-Base interactions energy: -165.026
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.114
local terms energy: -87.582256
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -15.317
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: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -251.597651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.597651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.597651 (E_RNA)
where:
Base-Base interactions energy: -181.947
where: short stacking energy: -76.342
Base-Backbone interact. energy: -0.854
local terms energy: -68.797131
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -233.506999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.506999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.506999 (E_RNA)
where:
Base-Base interactions energy: -161.122
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.117
local terms energy: -72.268593
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -234.313795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.313795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.313795 (E_RNA)
where:
Base-Base interactions energy: -155.575
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.409
local terms energy: -78.330017
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -16.041
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: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -202.476212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.476212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.476212 (E_RNA)
where:
Base-Base interactions energy: -120.521
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.177
local terms energy: -81.778510
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -184.043914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.043914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.043914 (E_RNA)
where:
Base-Base interactions energy: -117.636
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.763
local terms energy: -65.645019
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -99.860747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.860747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.860747 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -38.401
Base-Backbone interact. energy: -1.073
local terms energy: -60.386942
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -3.755
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: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -103.678506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.678506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.678506 (E_RNA)
where:
Base-Base interactions energy: -49.151
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.115
local terms energy: -54.412739
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -3.971
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: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -88.030979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030979 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.065
local terms energy: -55.776351
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -9.351
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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -92.617092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617092 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -27.935
Base-Backbone interact. energy: 0.374
local terms energy: -51.160193
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -252.664876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.664876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.664876 (E_RNA)
where:
Base-Base interactions energy: -175.078
where: short stacking energy: -74.317
Base-Backbone interact. energy: -0.554
local terms energy: -77.032824
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -246.153841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.153841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.153841 (E_RNA)
where:
Base-Base interactions energy: -179.977
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.453
local terms energy: -65.724109
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.536
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: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -252.348300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.348300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.348300 (E_RNA)
where:
Base-Base interactions energy: -174.158
where: short stacking energy: -73.953
Base-Backbone interact. energy: -0.534
local terms energy: -77.656562
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -18.077
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -239.158673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.158673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.158673 (E_RNA)
where:
Base-Base interactions energy: -157.319
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.463
local terms energy: -81.377046
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -175.826930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826930 (E_RNA)
where:
Base-Base interactions energy: -116.636
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.251
local terms energy: -58.939332
where:
bonds (distance) C4'-P energy: -5.632
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -128.181519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.181519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.181519 (E_RNA)
where:
Base-Base interactions energy: -77.448
where: short stacking energy: -31.609
Base-Backbone interact. energy: -1.482
local terms energy: -49.251643
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -2.536
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: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -154.397193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.397193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.397193 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.881
local terms energy: -60.180817
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -6.207
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: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -114.753462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.753462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.753462 (E_RNA)
where:
Base-Base interactions energy: -58.704
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.261
local terms energy: -55.788159
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -3.210
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: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -87.550595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.550595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.550595 (E_RNA)
where:
Base-Base interactions energy: -35.729
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.065
local terms energy: -51.757112
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -98.479829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479829 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.027
local terms energy: -51.805185
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -7.226
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -9.904
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: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -259.283710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.283710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.283710 (E_RNA)
where:
Base-Base interactions energy: -187.758
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.416
local terms energy: -71.109723
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -253.833413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.833413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.833413 (E_RNA)
where:
Base-Base interactions energy: -166.349
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.273
local terms energy: -87.211232
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -247.257933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.257933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.257933 (E_RNA)
where:
Base-Base interactions energy: -172.651
where: short stacking energy: -73.376
Base-Backbone interact. energy: 1.298
local terms energy: -75.904986
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -14.099
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: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -243.209058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.209058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.209058 (E_RNA)
where:
Base-Base interactions energy: -165.608
where: short stacking energy: -62.419
Base-Backbone interact. energy: 0.245
local terms energy: -77.846396
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -170.678545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.678545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.678545 (E_RNA)
where:
Base-Base interactions energy: -97.132
where: short stacking energy: -45.823
Base-Backbone interact. energy: -0.083
local terms energy: -73.463232
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -154.697714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.697714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.697714 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -41.381
Base-Backbone interact. energy: 1.870
local terms energy: -65.603761
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -6.061
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: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -167.514985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.514985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.514985 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.277
local terms energy: -57.782621
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -139.887005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.887005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.887005 (E_RNA)
where:
Base-Base interactions energy: -81.817
where: short stacking energy: -41.509
Base-Backbone interact. energy: -0.474
local terms energy: -57.595587
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -85.096916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.096916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.096916 (E_RNA)
where:
Base-Base interactions energy: -33.101
where: short stacking energy: -31.443
Base-Backbone interact. energy: -1.300
local terms energy: -50.695766
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -2.876
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: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -91.648010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648010 (E_RNA)
where:
Base-Base interactions energy: -51.766
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.158
local terms energy: -39.723927
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: 4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -250.041416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.041416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.041416 (E_RNA)
where:
Base-Base interactions energy: -168.809
where: short stacking energy: -82.746
Base-Backbone interact. energy: 0.125
local terms energy: -81.356890
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -250.148043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.148043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.148043 (E_RNA)
where:
Base-Base interactions energy: -175.528
where: short stacking energy: -75.942
Base-Backbone interact. energy: -0.107
local terms energy: -74.513080
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -249.641551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.641551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.641551 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.490
local terms energy: -82.057156
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -240.462658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.462658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.462658 (E_RNA)
where:
Base-Base interactions energy: -158.765
where: short stacking energy: -75.760
Base-Backbone interact. energy: -0.500
local terms energy: -81.198355
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.239
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: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -185.071502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.071502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.071502 (E_RNA)
where:
Base-Base interactions energy: -111.108
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.624
local terms energy: -73.339962
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -169.245080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.245080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.245080 (E_RNA)
where:
Base-Base interactions energy: -102.704
where: short stacking energy: -45.976
Base-Backbone interact. energy: 1.215
local terms energy: -67.756727
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -9.223
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -136.399030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.399030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.399030 (E_RNA)
where:
Base-Base interactions energy: -79.448
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.678
local terms energy: -56.272703
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -142.447640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.447640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.447640 (E_RNA)
where:
Base-Base interactions energy: -79.148
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.726
local terms energy: -62.573054
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.573
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: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -95.044506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044506 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -37.545
Base-Backbone interact. energy: -0.043
local terms energy: -56.420006
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -86.672252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672252 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.453
local terms energy: -47.221646
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/JEV5-916233de_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -242.350006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.350006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.350006 (E_RNA)
where:
Base-Base interactions energy: -169.742
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.256
local terms energy: -72.351944
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -245.504805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.504805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.504805 (E_RNA)
where:
Base-Base interactions energy: -169.443
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.378
local terms energy: -75.683945
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -12.343
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: 500
Temperature: 1.000000
Total energy: -245.850766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.850766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.850766 (E_RNA)
where:
Base-Base interactions energy: -166.520
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.277
local terms energy: -79.053796
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -19.170
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: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -248.472332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.472332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.472332 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -77.890
Base-Backbone interact. energy: 0.179
local terms energy: -77.609378
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -212.158861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.158861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.158861 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.027
local terms energy: -77.988290
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -21.487
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: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -173.546300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.546300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.546300 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.321
local terms energy: -59.108404
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -100.495671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.495671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.495671 (E_RNA)
where:
Base-Base interactions energy: -39.672
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.068
local terms energy: -60.755611
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -98.431572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.431572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.431572 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.615
local terms energy: -53.672004
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -99.588806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588806 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.336
local terms energy: -60.383632
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -9.132
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: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -81.611025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.611025 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -23.775
Base-Backbone interact. energy: -0.264
local terms energy: -53.565323
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -257.040976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.040976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.040976 (E_RNA)
where:
Base-Base interactions energy: -176.845
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.496
local terms energy: -79.699759
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -242.549767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.549767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.549767 (E_RNA)
where:
Base-Base interactions energy: -172.837
where: short stacking energy: -61.639
Base-Backbone interact. energy: 1.297
local terms energy: -71.010491
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -12.799
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: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -249.881976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.881976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.881976 (E_RNA)
where:
Base-Base interactions energy: -168.312
where: short stacking energy: -80.828
Base-Backbone interact. energy: -0.450
local terms energy: -81.119469
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -194.768506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.768506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.768506 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -70.953
Base-Backbone interact. energy: -0.035
local terms energy: -69.913633
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -241.116560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.116560 (E_RNA)
where:
Base-Base interactions energy: -158.608
where: short stacking energy: -77.444
Base-Backbone interact. energy: -2.218
local terms energy: -80.290521
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -178.098390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.098390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.098390 (E_RNA)
where:
Base-Base interactions energy: -109.554
where: short stacking energy: -51.918
Base-Backbone interact. energy: -0.478
local terms energy: -68.066202
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -96.437337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.437337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.437337 (E_RNA)
where:
Base-Base interactions energy: -36.829
where: short stacking energy: -31.287
Base-Backbone interact. energy: -0.184
local terms energy: -59.425055
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -107.990428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.990428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.990428 (E_RNA)
where:
Base-Base interactions energy: -53.085
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.134
local terms energy: -54.772068
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -5.620
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: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -98.883477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.883477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.883477 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.108
local terms energy: -47.868041
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: 0.761
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: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -84.273867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273867 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.338
local terms energy: -50.986565
where:
bonds (distance) C4'-P energy: -7.244
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -3.671
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14877590
moves confirmed later: 16913491
all moves confirmed: 31791081
percent of confirmed moves: 3.973885
current total energy: -221.970544
recalc. total energy: -221.970544
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15220691
moves confirmed later: 17360972
all moves confirmed: 32581663
percent of confirmed moves: 4.072708
current total energy: -217.660860
recalc. total energy: -217.660860
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16936807
moves confirmed later: 19700990
all moves confirmed: 36637797
percent of confirmed moves: 4.579725
current total energy: -212.587363
recalc. total energy: -212.587363
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 24230677
moves confirmed later: 29278646
all moves confirmed: 53509323
percent of confirmed moves: 6.688665
current total energy: -159.478562
recalc. total energy: -159.478562
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 12633085
moves confirmed later: 14022549
all moves confirmed: 26655634
percent of confirmed moves: 3.331954
current total energy: -187.909062
recalc. total energy: -187.909062
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20447522
moves confirmed later: 24273235
all moves confirmed: 44720757
percent of confirmed moves: 5.590095
current total energy: -101.948880
recalc. total energy: -101.948880
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19402110
moves confirmed later: 22765542
all moves confirmed: 42167652
percent of confirmed moves: 5.270956
current total energy: -52.190833
recalc. total energy: -52.190833
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 23592166
moves confirmed later: 28363534
all moves confirmed: 51955700
percent of confirmed moves: 6.494463
current total energy: -55.100252
recalc. total energy: -55.100252
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27343926
moves confirmed later: 33383574
all moves confirmed: 60727500
percent of confirmed moves: 7.590937
current total energy: -71.414664
recalc. total energy: -71.414664
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 22817800
moves confirmed later: 27380401
all moves confirmed: 50198201
percent of confirmed moves: 6.274775
current total energy: -28.495936
recalc. total energy: -28.495936
Time of doing 8000000 iterations: 3339.011 seconds