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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/ABC-e69e0426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABC-e69e0426/inputs/seq.fa: 1
curr_seq: _UCAUAUGUUGACUUUGACCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCAUAUGUUGACUUUGACCCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
Temperature: 1.100000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -80.350942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350942 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -118.438853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.438853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.438853 (E_RNA)
where:
Base-Base interactions energy: -51.538
where: short stacking energy: -47.732
Base-Backbone interact. energy: -0.034
local terms energy: -66.866772
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -11.870
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -131.041891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.041891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.041891 (E_RNA)
where:
Base-Base interactions energy: -73.445
where: short stacking energy: -39.428
Base-Backbone interact. energy: -0.507
local terms energy: -57.089472
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.373079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.373079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.373079 (E_RNA)
where:
Base-Base interactions energy: -43.801
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.001
local terms energy: -72.570637
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.081
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -113.204158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.204158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.204158 (E_RNA)
where:
Base-Base interactions energy: -49.631
where: short stacking energy: -21.416
Base-Backbone interact. energy: -0.253
local terms energy: -63.320269
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -95.776571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.776571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.776571 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -25.909
Base-Backbone interact. energy: 0.996
local terms energy: -64.458031
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -100.359247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.359247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.359247 (E_RNA)
where:
Base-Base interactions energy: -42.274
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.172
local terms energy: -57.912937
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -3.536
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -92.385064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385064 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -31.351
Base-Backbone interact. energy: 0.072
local terms energy: -61.105775
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -10.243
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -83.748694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.748694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.748694 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -27.180
Base-Backbone interact. energy: -0.035
local terms energy: -56.533321
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -5.030
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -79.235658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235658 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -79.235658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235658 (E_RNA)
where:
Base-Base interactions energy: -2.168
where: short stacking energy: -2.168
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -126.722869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.722869 (E_RNA)
where:
Base-Base interactions energy: -60.601
where: short stacking energy: -54.505
Base-Backbone interact. energy: 1.531
local terms energy: -67.653098
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -160.583547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.583547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.583547 (E_RNA)
where:
Base-Base interactions energy: -101.521
where: short stacking energy: -50.608
Base-Backbone interact. energy: -0.063
local terms energy: -58.999190
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -11.431
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -146.773581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.773581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.773581 (E_RNA)
where:
Base-Base interactions energy: -87.061
where: short stacking energy: -43.889
Base-Backbone interact. energy: -0.661
local terms energy: -59.051757
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -9.749
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -122.345434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.345434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.345434 (E_RNA)
where:
Base-Base interactions energy: -56.287
where: short stacking energy: -43.655
Base-Backbone interact. energy: 0.279
local terms energy: -66.337720
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -9.264
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -98.936298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936298 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -31.945
Base-Backbone interact. energy: -0.044
local terms energy: -62.198083
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -6.483
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -84.155097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.155097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.155097 (E_RNA)
where:
Base-Base interactions energy: -26.767
where: short stacking energy: -26.767
Base-Backbone interact. energy: -0.043
local terms energy: -57.344885
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.288
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -87.360316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360316 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.188
local terms energy: -52.794499
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.317
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -75.853083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.853083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.853083 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -20.028
Base-Backbone interact. energy: 1.024
local terms energy: -48.438468
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 3.128
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: 3
Temperature: 1.300000
Total energy: -83.577637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.577637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.577637 (E_RNA)
where:
Base-Base interactions energy: -23.992
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.471
local terms energy: -59.114980
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -69.370504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.370504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.370504 (E_RNA)
where:
Base-Base interactions energy: -23.447
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.682
local terms energy: -45.241294
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: 0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -198.288822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.288822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.288822 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.001
local terms energy: -78.454276
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -18.829
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -160.995108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.995108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.995108 (E_RNA)
where:
Base-Base interactions energy: -94.613
where: short stacking energy: -50.118
Base-Backbone interact. energy: -0.106
local terms energy: -66.276980
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -162.279390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.279390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.279390 (E_RNA)
where:
Base-Base interactions energy: -101.352
where: short stacking energy: -47.526
Base-Backbone interact. energy: 0.463
local terms energy: -61.390263
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -116.239812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.239812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.239812 (E_RNA)
where:
Base-Base interactions energy: -59.425
where: short stacking energy: -47.162
Base-Backbone interact. energy: 2.507
local terms energy: -59.322294
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -10.967
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: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -98.413922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413922 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -36.442
Base-Backbone interact. energy: -0.065
local terms energy: -52.974788
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -6.907
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -97.598410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598410 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.073
local terms energy: -65.174491
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -80.150142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.150142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.150142 (E_RNA)
where:
Base-Base interactions energy: -21.704
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.085
local terms energy: -58.361138
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -88.222267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.222267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.222267 (E_RNA)
where:
Base-Base interactions energy: -30.898
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.216
local terms energy: -57.108230
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -79.542996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.542996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.542996 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -25.815
Base-Backbone interact. energy: -0.086
local terms energy: -41.122658
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -1.225
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -76.456742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456742 (E_RNA)
where:
Base-Base interactions energy: -30.778
where: short stacking energy: -22.480
Base-Backbone interact. energy: -0.454
local terms energy: -45.225100
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: 1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -205.668068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.668068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.668068 (E_RNA)
where:
Base-Base interactions energy: -133.057
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.001
local terms energy: -72.610480
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -19.510
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: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -168.097485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.097485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.097485 (E_RNA)
where:
Base-Base interactions energy: -100.293
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.125
local terms energy: -67.678624
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -162.231989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231989 (E_RNA)
where:
Base-Base interactions energy: -93.982
where: short stacking energy: -46.503
Base-Backbone interact. energy: -0.039
local terms energy: -68.210947
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -115.730383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.730383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.730383 (E_RNA)
where:
Base-Base interactions energy: -61.038
where: short stacking energy: -36.701
Base-Backbone interact. energy: -0.083
local terms energy: -54.610329
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -103.562662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562662 (E_RNA)
where:
Base-Base interactions energy: -55.845
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.052
local terms energy: -47.665558
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -8.566
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: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -102.698560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.698560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.698560 (E_RNA)
where:
Base-Base interactions energy: -53.588
where: short stacking energy: -27.784
Base-Backbone interact. energy: -1.268
local terms energy: -47.842964
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -6.290
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -84.171178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.171178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.171178 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.303
local terms energy: -46.420564
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.683
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -74.483457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.483457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.483457 (E_RNA)
where:
Base-Base interactions energy: -27.183
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.029
local terms energy: -47.271589
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: 1.081
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: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -71.934519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.934519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.934519 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -15.347
Base-Backbone interact. energy: 0.163
local terms energy: -56.750914
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -77.221780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.221780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.221780 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -19.904
Base-Backbone interact. energy: -0.259
local terms energy: -41.631943
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -210.615788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615788 (E_RNA)
where:
Base-Base interactions energy: -136.792
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.001
local terms energy: -73.823388
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -12.683
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -163.891110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.891110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.891110 (E_RNA)
where:
Base-Base interactions energy: -87.059
where: short stacking energy: -48.936
Base-Backbone interact. energy: -0.072
local terms energy: -76.759853
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -158.047885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.047885 (E_RNA)
where:
Base-Base interactions energy: -89.535
where: short stacking energy: -51.404
Base-Backbone interact. energy: -1.834
local terms energy: -66.678823
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -11.276
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: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -140.032349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.032349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.032349 (E_RNA)
where:
Base-Base interactions energy: -79.478
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.651
local terms energy: -59.903373
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.400
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -105.925107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.925107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.925107 (E_RNA)
where:
Base-Base interactions energy: -52.646
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.135
local terms energy: -53.144529
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -110.751137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.751137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.751137 (E_RNA)
where:
Base-Base interactions energy: -58.361
where: short stacking energy: -28.162
Base-Backbone interact. energy: -0.381
local terms energy: -52.008974
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -109.869822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.869822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.869822 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.267
local terms energy: -60.520333
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -83.466922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.466922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.466922 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -22.418
Base-Backbone interact. energy: -0.187
local terms energy: -47.271673
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -8.317
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: 9, replica: 7
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -75.985359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.985359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.985359 (E_RNA)
where:
Base-Base interactions energy: -26.690
where: short stacking energy: -23.721
Base-Backbone interact. energy: -0.351
local terms energy: -48.944054
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -8.464
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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -75.018244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.018244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.018244 (E_RNA)
where:
Base-Base interactions energy: -20.532
where: short stacking energy: -18.156
Base-Backbone interact. energy: -0.417
local terms energy: -54.068899
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -210.188071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.188071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.188071 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.090
local terms energy: -77.475071
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -167.863277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.863277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.863277 (E_RNA)
where:
Base-Base interactions energy: -95.705
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.049
local terms energy: -72.109776
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.190
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -175.575619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.575619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.575619 (E_RNA)
where:
Base-Base interactions energy: -109.786
where: short stacking energy: -58.984
Base-Backbone interact. energy: 1.658
local terms energy: -67.447938
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -99.323449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323449 (E_RNA)
where:
Base-Base interactions energy: -54.920
where: short stacking energy: -34.803
Base-Backbone interact. energy: 1.329
local terms energy: -45.731965
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -130.362078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.362078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.362078 (E_RNA)
where:
Base-Base interactions energy: -75.716
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.873
local terms energy: -53.773343
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -100.368243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.368243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.368243 (E_RNA)
where:
Base-Base interactions energy: -42.778
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.192
local terms energy: -57.398769
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -11.089
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -103.026305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.026305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.026305 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -37.166
Base-Backbone interact. energy: -0.118
local terms energy: -57.320321
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -9.566
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: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -71.882555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.882555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.882555 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.481
local terms energy: -46.371652
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -74.706460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.706460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.706460 (E_RNA)
where:
Base-Base interactions energy: -20.026
where: short stacking energy: -20.026
Base-Backbone interact. energy: -0.374
local terms energy: -54.305532
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -2.013
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: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -74.430027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.430027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.430027 (E_RNA)
where:
Base-Base interactions energy: -32.530
where: short stacking energy: -18.599
Base-Backbone interact. energy: 1.332
local terms energy: -43.231947
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -210.001730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001730 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -63.854
Base-Backbone interact. energy: -0.050
local terms energy: -73.097637
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -166.264102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.264102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.264102 (E_RNA)
where:
Base-Base interactions energy: -102.196
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.237
local terms energy: -63.831192
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -7.409
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -176.650277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.650277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.650277 (E_RNA)
where:
Base-Base interactions energy: -110.840
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.233
local terms energy: -65.577546
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -96.752490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.752490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.752490 (E_RNA)
where:
Base-Base interactions energy: -43.031
where: short stacking energy: -25.818
Base-Backbone interact. energy: -0.054
local terms energy: -53.667157
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -5.484
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: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -91.496991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496991 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -25.337
Base-Backbone interact. energy: -0.234
local terms energy: -54.947698
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -94.358173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.358173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.358173 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -27.865
Base-Backbone interact. energy: -0.188
local terms energy: -54.283273
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -82.133799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.133799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.133799 (E_RNA)
where:
Base-Base interactions energy: -32.321
where: short stacking energy: -32.321
Base-Backbone interact. energy: -0.125
local terms energy: -49.687283
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -76.102699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.102699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.102699 (E_RNA)
where:
Base-Base interactions energy: -26.409
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.154
local terms energy: -49.540212
where:
bonds (distance) C4'-P energy: -5.906
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -7.589
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -89.779234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.779234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.779234 (E_RNA)
where:
Base-Base interactions energy: -40.227
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.016
local terms energy: -49.535857
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -76.833675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.833675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.833675 (E_RNA)
where:
Base-Base interactions energy: -28.440
where: short stacking energy: -22.332
Base-Backbone interact. energy: -0.371
local terms energy: -48.022568
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.672
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -213.911913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911913 (E_RNA)
where:
Base-Base interactions energy: -136.640
where: short stacking energy: -68.286
Base-Backbone interact. energy: -0.053
local terms energy: -77.218245
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -170.909338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909338 (E_RNA)
where:
Base-Base interactions energy: -99.913
where: short stacking energy: -56.205
Base-Backbone interact. energy: 0.735
local terms energy: -71.731065
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -17.973
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: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -179.191341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.191341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.191341 (E_RNA)
where:
Base-Base interactions energy: -113.311
where: short stacking energy: -59.381
Base-Backbone interact. energy: -0.140
local terms energy: -65.740525
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -8.082
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -99.370568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.370568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.370568 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -33.151
Base-Backbone interact. energy: -0.545
local terms energy: -56.980644
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -10.252
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: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -89.724549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.724549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.724549 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.264
local terms energy: -54.332991
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -88.238027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.238027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.238027 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -26.877
Base-Backbone interact. energy: -0.017
local terms energy: -55.988145
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -10.258
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: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -84.359333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359333 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.045
local terms energy: -51.369126
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -88.999063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.999063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.999063 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.049
local terms energy: -59.215931
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -77.723288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.723288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.723288 (E_RNA)
where:
Base-Base interactions energy: -23.443
where: short stacking energy: -17.737
Base-Backbone interact. energy: -0.187
local terms energy: -54.093109
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -0.163
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: 9
Temperature: 1.350000
Total energy: -69.607166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.607166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.607166 (E_RNA)
where:
Base-Base interactions energy: -16.937
where: short stacking energy: -15.344
Base-Backbone interact. energy: -0.224
local terms energy: -52.446010
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.337
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: 10
Temperature: 0.900000
Total energy: -207.393482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.393482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.393482 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.512
local terms energy: -77.512713
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.348
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -173.399677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.399677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.399677 (E_RNA)
where:
Base-Base interactions energy: -98.206
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.102
local terms energy: -75.091975
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -181.533688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.533688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.533688 (E_RNA)
where:
Base-Base interactions energy: -109.058
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.613
local terms energy: -71.863178
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -104.738426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.738426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.738426 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.040
local terms energy: -67.795305
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.078
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: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -110.404350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404350 (E_RNA)
where:
Base-Base interactions energy: -62.717
where: short stacking energy: -37.239
Base-Backbone interact. energy: -0.250
local terms energy: -47.436992
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -120.996543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.996543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.996543 (E_RNA)
where:
Base-Base interactions energy: -73.184
where: short stacking energy: -38.174
Base-Backbone interact. energy: 0.161
local terms energy: -47.973942
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -85.439057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439057 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.020
local terms energy: -56.395740
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -5.538
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -86.253546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.253546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.253546 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -29.024
Base-Backbone interact. energy: -0.550
local terms energy: -56.679036
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -72.892758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.892758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.892758 (E_RNA)
where:
Base-Base interactions energy: -25.226
where: short stacking energy: -24.273
Base-Backbone interact. energy: 1.754
local terms energy: -49.420577
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -74.817202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.817202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.817202 (E_RNA)
where:
Base-Base interactions energy: -19.834
where: short stacking energy: -19.044
Base-Backbone interact. energy: -0.231
local terms energy: -54.752320
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.070
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -206.505803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.505803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.505803 (E_RNA)
where:
Base-Base interactions energy: -126.267
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.001
local terms energy: -80.237878
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -207.911396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.911396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911396 (E_RNA)
where:
Base-Base interactions energy: -131.372
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.838
local terms energy: -75.701539
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -167.904392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.904392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.904392 (E_RNA)
where:
Base-Base interactions energy: -101.658
where: short stacking energy: -48.492
Base-Backbone interact. energy: -0.096
local terms energy: -66.150431
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -120.612166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.612166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.612166 (E_RNA)
where:
Base-Base interactions energy: -65.905
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.402
local terms energy: -54.304585
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -8.087
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: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -99.846054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.846054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.846054 (E_RNA)
where:
Base-Base interactions energy: -42.788
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.037
local terms energy: -57.020544
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -138.357872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.357872 (E_RNA)
where:
Base-Base interactions energy: -79.442
where: short stacking energy: -33.132
Base-Backbone interact. energy: 0.041
local terms energy: -58.956884
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -88.261101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261101 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.077
local terms energy: -51.038421
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -70.557173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.557173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.557173 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -22.270
Base-Backbone interact. energy: -0.074
local terms energy: -43.981012
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -7.831
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.806426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806426 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.153
local terms energy: -50.767289
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -66.422729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.422729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.422729 (E_RNA)
where:
Base-Base interactions energy: -20.849
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.128
local terms energy: -45.446288
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: 2.010
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -211.048621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.048621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.048621 (E_RNA)
where:
Base-Base interactions energy: -137.217
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.001
local terms energy: -73.830982
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -207.423047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.423047 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.008
local terms energy: -73.123910
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -21.349
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: 12
Temperature: 1.000000
Total energy: -170.507318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.507318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.507318 (E_RNA)
where:
Base-Base interactions energy: -105.255
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.177
local terms energy: -65.075647
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -12.722
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: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -131.356547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.356547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.356547 (E_RNA)
where:
Base-Base interactions energy: -72.384
where: short stacking energy: -37.331
Base-Backbone interact. energy: 1.324
local terms energy: -60.296033
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -129.935055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.935055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.935055 (E_RNA)
where:
Base-Base interactions energy: -73.862
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.399
local terms energy: -55.673554
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -5.667
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: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -87.739443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739443 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.019
local terms energy: -58.286199
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.499
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: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -94.371720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.371720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.371720 (E_RNA)
where:
Base-Base interactions energy: -31.593
where: short stacking energy: -31.593
Base-Backbone interact. energy: 0.913
local terms energy: -63.692200
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -72.140054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.140054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.140054 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -22.787
Base-Backbone interact. energy: -0.080
local terms energy: -48.262902
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -75.543056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.543056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.543056 (E_RNA)
where:
Base-Base interactions energy: -19.887
where: short stacking energy: -19.887
Base-Backbone interact. energy: 4.323
local terms energy: -59.979528
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -68.190981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.190981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.190981 (E_RNA)
where:
Base-Base interactions energy: -17.409
where: short stacking energy: -14.326
Base-Backbone interact. energy: -0.091
local terms energy: -50.691137
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: 2.337
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: 13
Temperature: 0.900000
Total energy: -205.769249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.769249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.769249 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.082
local terms energy: -72.502758
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -16.594
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -170.485760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.485760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.485760 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -42.438
Base-Backbone interact. energy: 0.819
local terms energy: -66.207815
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -202.358827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.358827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.358827 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -58.434
Base-Backbone interact. energy: -0.007
local terms energy: -77.432995
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -155.692215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.692215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.692215 (E_RNA)
where:
Base-Base interactions energy: -84.171
where: short stacking energy: -44.271
Base-Backbone interact. energy: -0.627
local terms energy: -70.893743
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -102.549265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.549265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.549265 (E_RNA)
where:
Base-Base interactions energy: -56.255
where: short stacking energy: -30.355
Base-Backbone interact. energy: -0.110
local terms energy: -46.184677
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -3.714
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -105.728084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.728084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.728084 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -40.027
Base-Backbone interact. energy: -0.006
local terms energy: -65.695248
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -81.712920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.712920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.712920 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.172
local terms energy: -55.945587
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -4.825
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -73.724235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.724235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.724235 (E_RNA)
where:
Base-Base interactions energy: -27.501
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.092
local terms energy: -46.131022
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -92.763160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.763160 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.014
local terms energy: -53.662050
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -79.985406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985406 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.225
local terms energy: -46.784213
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -1.529
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: 14
Temperature: 0.900000
Total energy: -171.150253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.150253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.150253 (E_RNA)
where:
Base-Base interactions energy: -105.259
where: short stacking energy: -48.785
Base-Backbone interact. energy: 0.442
local terms energy: -66.333605
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -201.938018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.938018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938018 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.049
local terms energy: -73.575432
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -164.113940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.113940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.113940 (E_RNA)
where:
Base-Base interactions energy: -104.081
where: short stacking energy: -46.079
Base-Backbone interact. energy: -0.067
local terms energy: -59.966617
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -204.993777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.993777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.993777 (E_RNA)
where:
Base-Base interactions energy: -129.511
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.109
local terms energy: -75.374231
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -96.055125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.055125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.055125 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -31.207
Base-Backbone interact. energy: -0.963
local terms energy: -53.569214
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -12.415
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: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -97.780137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780137 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -31.214
Base-Backbone interact. energy: 0.115
local terms energy: -52.470677
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -77.436131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.436131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.436131 (E_RNA)
where:
Base-Base interactions energy: -30.436
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.053
local terms energy: -46.947077
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -89.644211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.644211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.644211 (E_RNA)
where:
Base-Base interactions energy: -35.662
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.133
local terms energy: -53.849149
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -7.516
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: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -75.980910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.980910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.980910 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -29.538
Base-Backbone interact. energy: -0.131
local terms energy: -46.311627
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -4.556
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: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -81.837064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.837064 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -27.091
Base-Backbone interact. energy: -0.966
local terms energy: -45.964925
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -173.207927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.207927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.207927 (E_RNA)
where:
Base-Base interactions energy: -103.342
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.112
local terms energy: -69.753438
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -204.870231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.870231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.870231 (E_RNA)
where:
Base-Base interactions energy: -126.000
where: short stacking energy: -61.862
Base-Backbone interact. energy: -1.821
local terms energy: -77.049616
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -168.044321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.044321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.044321 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -49.645
Base-Backbone interact. energy: -1.995
local terms energy: -61.921247
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -194.816254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.816254 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -47.870
Base-Backbone interact. energy: -0.035
local terms energy: -72.607807
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -112.187022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187022 (E_RNA)
where:
Base-Base interactions energy: -49.380
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.708
local terms energy: -62.098834
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -6.762
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: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -102.224229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.224229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.224229 (E_RNA)
where:
Base-Base interactions energy: -41.729
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.225
local terms energy: -60.270759
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -4.980
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: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -81.417642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417642 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.035
local terms energy: -46.845627
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -4.171
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -94.743276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.743276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.743276 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.026
local terms energy: -60.276777
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -70.559158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.559158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.559158 (E_RNA)
where:
Base-Base interactions energy: -24.232
where: short stacking energy: -22.515
Base-Backbone interact. energy: -0.113
local terms energy: -46.214154
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.428
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: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -72.258391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.258391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.258391 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -24.066
Base-Backbone interact. energy: 0.062
local terms energy: -45.201961
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -218.138779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138779 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.289
local terms energy: -71.164769
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -18.853
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: 16
Temperature: 0.950000
Total energy: -170.383430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383430 (E_RNA)
where:
Base-Base interactions energy: -100.372
where: short stacking energy: -51.212
Base-Backbone interact. energy: -0.091
local terms energy: -69.921058
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -14.931
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: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -177.810534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.810534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.810534 (E_RNA)
where:
Base-Base interactions energy: -109.236
where: short stacking energy: -50.573
Base-Backbone interact. energy: -0.081
local terms energy: -68.493512
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -187.546257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546257 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.122
local terms energy: -63.077191
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -16.662
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: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -104.151674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.151674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.151674 (E_RNA)
where:
Base-Base interactions energy: -43.761
where: short stacking energy: -29.650
Base-Backbone interact. energy: -1.696
local terms energy: -58.694489
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -136.603780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.603780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.603780 (E_RNA)
where:
Base-Base interactions energy: -91.567
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.825
local terms energy: -44.211846
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -7.547
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: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -90.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.554434 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.700
local terms energy: -45.681063
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -0.566
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: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -97.232590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.232590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.232590 (E_RNA)
where:
Base-Base interactions energy: -39.823
where: short stacking energy: -39.771
Base-Backbone interact. energy: 1.374
local terms energy: -58.783765
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -73.769403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.769403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.769403 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -15.339
Base-Backbone interact. energy: -0.241
local terms energy: -50.828314
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -7.996
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: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -71.861501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.861501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.861501 (E_RNA)
where:
Base-Base interactions energy: -22.750
where: short stacking energy: -22.750
Base-Backbone interact. energy: -0.051
local terms energy: -49.060531
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 1.020
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: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -208.823091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823091 (E_RNA)
where:
Base-Base interactions energy: -128.387
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.189
local terms energy: -80.246444
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.796
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: 10
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -187.503360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.503360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.503360 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.070
local terms energy: -68.875768
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -165.478695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.478695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.478695 (E_RNA)
where:
Base-Base interactions energy: -100.379
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.022
local terms energy: -65.077891
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -8.208
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: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -186.548190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.548190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.548190 (E_RNA)
where:
Base-Base interactions energy: -116.412
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.749
local terms energy: -69.387098
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -113.208492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.208492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.208492 (E_RNA)
where:
Base-Base interactions energy: -51.901
where: short stacking energy: -37.396
Base-Backbone interact. energy: -0.271
local terms energy: -61.036063
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -6.140
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -99.691140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.691140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.691140 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.165
local terms energy: -52.740248
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -124.848076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.848076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.848076 (E_RNA)
where:
Base-Base interactions energy: -69.572
where: short stacking energy: -23.221
Base-Backbone interact. energy: 0.524
local terms energy: -55.799947
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -2.855
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: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -82.257431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257431 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -25.913
Base-Backbone interact. energy: -0.053
local terms energy: -56.290609
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -73.222872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.222872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.222872 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -26.495
Base-Backbone interact. energy: 0.951
local terms energy: -46.063824
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.844849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.844849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.844849 (E_RNA)
where:
Base-Base interactions energy: -22.278
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.041
local terms energy: -55.525962
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -208.966826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.966826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.966826 (E_RNA)
where:
Base-Base interactions energy: -134.322
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.470
local terms energy: -74.174790
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -183.618359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.618359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.618359 (E_RNA)
where:
Base-Base interactions energy: -109.425
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.481
local terms energy: -73.711942
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -15.637
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -208.605556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.605556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.605556 (E_RNA)
where:
Base-Base interactions energy: -135.177
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.004
local terms energy: -73.425376
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.635
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -161.260738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.260738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.260738 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.004
local terms energy: -71.454585
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -97.730323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.730323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.730323 (E_RNA)
where:
Base-Base interactions energy: -35.661
where: short stacking energy: -19.223
Base-Backbone interact. energy: 0.055
local terms energy: -62.124017
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -82.306363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306363 (E_RNA)
where:
Base-Base interactions energy: -25.495
where: short stacking energy: -25.495
Base-Backbone interact. energy: -0.679
local terms energy: -56.132382
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -89.304576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.304576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.304576 (E_RNA)
where:
Base-Base interactions energy: -43.230
where: short stacking energy: -39.150
Base-Backbone interact. energy: -0.188
local terms energy: -45.886280
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -85.039308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039308 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.029
local terms energy: -53.392714
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -80.132945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.132945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.132945 (E_RNA)
where:
Base-Base interactions energy: -32.394
where: short stacking energy: -16.249
Base-Backbone interact. energy: -0.366
local terms energy: -47.372979
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -5.949
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: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -70.458852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.458852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.458852 (E_RNA)
where:
Base-Base interactions energy: -29.758
where: short stacking energy: -20.201
Base-Backbone interact. energy: -0.139
local terms energy: -40.561738
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -212.725601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.725601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.725601 (E_RNA)
where:
Base-Base interactions energy: -130.497
where: short stacking energy: -70.485
Base-Backbone interact. energy: -0.053
local terms energy: -82.174801
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -205.947039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.947039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.947039 (E_RNA)
where:
Base-Base interactions energy: -131.356
where: short stacking energy: -67.789
Base-Backbone interact. energy: -0.078
local terms energy: -74.513055
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -18.350
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: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -190.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175790 (E_RNA)
where:
Base-Base interactions energy: -116.209
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.103
local terms energy: -73.863669
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -152.387786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.387786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.387786 (E_RNA)
where:
Base-Base interactions energy: -92.149
where: short stacking energy: -36.590
Base-Backbone interact. energy: 0.231
local terms energy: -60.469359
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -7.530
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: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -110.719059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.719059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.719059 (E_RNA)
where:
Base-Base interactions energy: -52.890
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.058
local terms energy: -57.770562
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -89.366836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.366836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.366836 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.101
local terms energy: -54.652823
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -5.864
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: 19
Temperature: 1.200000
Total energy: -85.285329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285329 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.347
local terms energy: -57.450921
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.828
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: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -79.012152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.012152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.012152 (E_RNA)
where:
Base-Base interactions energy: -22.200
where: short stacking energy: -18.753
Base-Backbone interact. energy: -1.478
local terms energy: -55.334512
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -4.431
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: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -77.703587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.703587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.703587 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -26.027
Base-Backbone interact. energy: 0.039
local terms energy: -52.515991
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -77.041603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.041603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.041603 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -18.128
Base-Backbone interact. energy: -0.019
local terms energy: -43.646799
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -5.410
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -214.553524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.553524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.553524 (E_RNA)
where:
Base-Base interactions energy: -139.878
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.242
local terms energy: -74.433740
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -20.985
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: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -204.596371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.596371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.596371 (E_RNA)
where:
Base-Base interactions energy: -128.399
where: short stacking energy: -60.552
Base-Backbone interact. energy: -0.002
local terms energy: -76.195906
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -161.623128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.623128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.623128 (E_RNA)
where:
Base-Base interactions energy: -102.195
where: short stacking energy: -37.698
Base-Backbone interact. energy: -0.324
local terms energy: -59.104689
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -181.644828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.644828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.644828 (E_RNA)
where:
Base-Base interactions energy: -112.203
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.144
local terms energy: -69.297856
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -90.845703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.845703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.845703 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.135
local terms energy: -58.092795
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -96.627596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.627596 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -34.014
Base-Backbone interact. energy: -0.004
local terms energy: -61.482088
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -75.752584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.752584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.752584 (E_RNA)
where:
Base-Base interactions energy: -24.049
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.154
local terms energy: -51.549992
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -77.405498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.405498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.405498 (E_RNA)
where:
Base-Base interactions energy: -30.797
where: short stacking energy: -19.708
Base-Backbone interact. energy: 0.219
local terms energy: -46.827149
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -87.283411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.283411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.283411 (E_RNA)
where:
Base-Base interactions energy: -40.150
where: short stacking energy: -17.139
Base-Backbone interact. energy: -0.426
local terms energy: -46.706908
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -76.304259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.304259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.304259 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -19.335
Base-Backbone interact. energy: 0.438
local terms energy: -45.483223
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -1.616
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: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -211.058346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058346 (E_RNA)
where:
Base-Base interactions energy: -133.273
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.133
local terms energy: -77.652633
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -22.949
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: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -208.700361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700361 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.482
local terms energy: -83.002684
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -173.934741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.934741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.934741 (E_RNA)
where:
Base-Base interactions energy: -105.672
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.097
local terms energy: -68.166082
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -19.101
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: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -176.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.042517 (E_RNA)
where:
Base-Base interactions energy: -115.212
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.133
local terms energy: -60.698076
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -93.767641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767641 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.101
local terms energy: -56.386945
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -93.327518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.327518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.327518 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -33.910
Base-Backbone interact. energy: -0.287
local terms energy: -59.130142
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -102.490947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.490947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.490947 (E_RNA)
where:
Base-Base interactions energy: -61.775
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.379
local terms energy: -40.337195
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -1.381
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -83.650097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.650097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.650097 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -26.222
Base-Backbone interact. energy: -0.105
local terms energy: -55.748729
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -90.207633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.207633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.207633 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -28.596
Base-Backbone interact. energy: -0.272
local terms energy: -45.790414
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -74.272393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.272393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.272393 (E_RNA)
where:
Base-Base interactions energy: -25.834
where: short stacking energy: -23.196
Base-Backbone interact. energy: -0.308
local terms energy: -48.130086
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -1.061
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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -211.136638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.136638 (E_RNA)
where:
Base-Base interactions energy: -132.248
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.086
local terms energy: -78.802224
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.358
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -212.424542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.424542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.424542 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.608
local terms energy: -80.517276
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -13.287
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: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -171.408842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.408842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.408842 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -40.158
Base-Backbone interact. energy: -0.600
local terms energy: -57.894660
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -156.380758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.380758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.380758 (E_RNA)
where:
Base-Base interactions energy: -95.189
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.066
local terms energy: -61.125938
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -101.331981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.331981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.331981 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -24.629
Base-Backbone interact. energy: -0.124
local terms energy: -61.401536
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -11.981
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: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -94.881702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.881702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.881702 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -21.661
Base-Backbone interact. energy: -0.654
local terms energy: -55.891607
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -4.211
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: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -100.962191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.962191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.962191 (E_RNA)
where:
Base-Base interactions energy: -52.781
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.551
local terms energy: -47.629538
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -85.424381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.424381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.424381 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -34.274
Base-Backbone interact. energy: 0.330
local terms energy: -51.480176
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -78.394299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394299 (E_RNA)
where:
Base-Base interactions energy: -24.844
where: short stacking energy: -24.844
Base-Backbone interact. energy: -0.397
local terms energy: -53.153266
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -68.136739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.136739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.136739 (E_RNA)
where:
Base-Base interactions energy: -19.418
where: short stacking energy: -16.124
Base-Backbone interact. energy: -0.427
local terms energy: -48.291642
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -218.714592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.714592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.714592 (E_RNA)
where:
Base-Base interactions energy: -145.209
where: short stacking energy: -70.856
Base-Backbone interact. energy: -0.201
local terms energy: -73.304528
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -213.661563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.661563 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.003
local terms energy: -75.723015
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -170.647373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.647373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.647373 (E_RNA)
where:
Base-Base interactions energy: -103.693
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.581
local terms energy: -66.373887
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.413
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -156.553016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.553016 (E_RNA)
where:
Base-Base interactions energy: -94.530
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.020
local terms energy: -62.002714
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -94.984099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.984099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.984099 (E_RNA)
where:
Base-Base interactions energy: -31.545
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.595
local terms energy: -62.843930
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -93.458489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.458489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.458489 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.069
local terms energy: -57.344914
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -91.572153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.572153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.572153 (E_RNA)
where:
Base-Base interactions energy: -47.486
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.225
local terms energy: -43.860997
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -11.277
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: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -88.952158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952158 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.441
local terms energy: -48.375834
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -73.829123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.829123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.829123 (E_RNA)
where:
Base-Base interactions energy: -21.870
where: short stacking energy: -16.243
Base-Backbone interact. energy: -0.626
local terms energy: -51.332934
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -66.332544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.332544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.332544 (E_RNA)
where:
Base-Base interactions energy: -21.200
where: short stacking energy: -15.048
Base-Backbone interact. energy: 0.047
local terms energy: -45.179522
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -0.751
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: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -209.436982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.436982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.436982 (E_RNA)
where:
Base-Base interactions energy: -143.044
where: short stacking energy: -73.708
Base-Backbone interact. energy: -0.227
local terms energy: -66.166540
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -204.033954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.033954 (E_RNA)
where:
Base-Base interactions energy: -128.401
where: short stacking energy: -62.263
Base-Backbone interact. energy: 0.025
local terms energy: -75.658053
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -158.920056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.920056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.920056 (E_RNA)
where:
Base-Base interactions energy: -98.801
where: short stacking energy: -48.770
Base-Backbone interact. energy: -0.105
local terms energy: -60.013882
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -10.841
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: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -155.968052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.968052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.968052 (E_RNA)
where:
Base-Base interactions energy: -98.323
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.287
local terms energy: -57.357808
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -10.154
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: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -106.089014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.089014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.089014 (E_RNA)
where:
Base-Base interactions energy: -57.985
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.222
local terms energy: -47.882488
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -0.770
tors. eta vs tors. theta energy: -4.206
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: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -90.651440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651440 (E_RNA)
where:
Base-Base interactions energy: -42.474
where: short stacking energy: -32.607
Base-Backbone interact. energy: 2.309
local terms energy: -50.487171
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -5.638
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: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -87.870346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.870346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.870346 (E_RNA)
where:
Base-Base interactions energy: -43.961
where: short stacking energy: -26.879
Base-Backbone interact. energy: -0.496
local terms energy: -43.413608
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -79.298437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.298437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.298437 (E_RNA)
where:
Base-Base interactions energy: -30.200
where: short stacking energy: -18.749
Base-Backbone interact. energy: -0.038
local terms energy: -49.060076
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -74.259432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.259432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.259432 (E_RNA)
where:
Base-Base interactions energy: -27.460
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.887
local terms energy: -45.912600
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -6.293
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -74.546306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.546306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.546306 (E_RNA)
where:
Base-Base interactions energy: -24.097
where: short stacking energy: -23.595
Base-Backbone interact. energy: -0.862
local terms energy: -49.587356
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -2.628
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -220.861603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.861603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.861603 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.085
local terms energy: -71.641289
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -201.419421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.419421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.419421 (E_RNA)
where:
Base-Base interactions energy: -130.691
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.508
local terms energy: -70.220555
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -18.254
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -174.311295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.311295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.311295 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.286
local terms energy: -75.514260
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -149.164793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.164793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.164793 (E_RNA)
where:
Base-Base interactions energy: -87.431
where: short stacking energy: -48.188
Base-Backbone interact. energy: -0.020
local terms energy: -61.714343
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -109.496918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.496918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.496918 (E_RNA)
where:
Base-Base interactions energy: -54.662
where: short stacking energy: -24.899
Base-Backbone interact. energy: -1.227
local terms energy: -53.607860
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -112.213116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.213116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.213116 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.130
local terms energy: -61.643096
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -7.346
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -80.569352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.569352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.569352 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -23.760
Base-Backbone interact. energy: -1.862
local terms energy: -51.144764
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -1.997
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: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -82.329288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.329288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.329288 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -17.827
Base-Backbone interact. energy: -1.157
local terms energy: -49.374241
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: 1.493
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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -75.395815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395815 (E_RNA)
where:
Base-Base interactions energy: -28.231
where: short stacking energy: -26.549
Base-Backbone interact. energy: -0.143
local terms energy: -47.021814
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -73.169843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.169843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.169843 (E_RNA)
where:
Base-Base interactions energy: -26.481
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.618
local terms energy: -46.071343
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -4.519
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: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -218.962171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.962171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.962171 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.030
local terms energy: -80.340330
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -205.479625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.479625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.479625 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.419
local terms energy: -75.759059
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -7.820
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: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -149.143472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.143472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.143472 (E_RNA)
where:
Base-Base interactions energy: -89.271
where: short stacking energy: -48.027
Base-Backbone interact. energy: 0.027
local terms energy: -59.900003
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -11.949
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: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -154.108414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.108414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.108414 (E_RNA)
where:
Base-Base interactions energy: -91.594
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.408
local terms energy: -62.106355
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -8.053
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: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -88.873572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873572 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -30.076
Base-Backbone interact. energy: -0.043
local terms energy: -58.467710
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.578
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: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -95.819143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.819143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.819143 (E_RNA)
where:
Base-Base interactions energy: -44.644
where: short stacking energy: -26.763
Base-Backbone interact. energy: -1.556
local terms energy: -49.619480
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -8.117
flat angles P-C4'-P energy: -12.353
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -88.636086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.636086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.636086 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -25.343
Base-Backbone interact. energy: -0.477
local terms energy: -55.224088
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -85.775541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.775541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.775541 (E_RNA)
where:
Base-Base interactions energy: -31.860
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.209
local terms energy: -53.706393
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -82.019315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019315 (E_RNA)
where:
Base-Base interactions energy: -30.403
where: short stacking energy: -24.050
Base-Backbone interact. energy: 0.265
local terms energy: -51.881717
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.296
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -75.756029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.756029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.756029 (E_RNA)
where:
Base-Base interactions energy: -17.926
where: short stacking energy: -17.144
Base-Backbone interact. energy: -0.188
local terms energy: -57.641989
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -216.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.018681 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.001
local terms energy: -85.086369
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -199.983437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.983437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983437 (E_RNA)
where:
Base-Base interactions energy: -123.854
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.137
local terms energy: -75.993242
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -176.887978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.887978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.887978 (E_RNA)
where:
Base-Base interactions energy: -109.660
where: short stacking energy: -50.158
Base-Backbone interact. energy: -0.086
local terms energy: -67.141121
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -10.864
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: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -165.108387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108387 (E_RNA)
where:
Base-Base interactions energy: -102.351
where: short stacking energy: -47.290
Base-Backbone interact. energy: -0.276
local terms energy: -62.481835
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -0.391
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -97.089982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.089982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.089982 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.088
local terms energy: -59.499175
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -9.699
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -82.952803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952803 (E_RNA)
where:
Base-Base interactions energy: -29.260
where: short stacking energy: -29.260
Base-Backbone interact. energy: -0.295
local terms energy: -53.397530
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -95.038269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.038269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.038269 (E_RNA)
where:
Base-Base interactions energy: -38.570
where: short stacking energy: -30.232
Base-Backbone interact. energy: -1.681
local terms energy: -54.786492
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.353930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.353930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.353930 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.612
local terms energy: -44.112814
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -9.518
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: 27
Temperature: 1.300000
Total energy: -76.984885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.984885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.984885 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -23.099
Base-Backbone interact. energy: -0.693
local terms energy: -40.122648
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -103.530553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.530553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.530553 (E_RNA)
where:
Base-Base interactions energy: -53.267
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.411
local terms energy: -49.852938
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -205.202736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202736 (E_RNA)
where:
Base-Base interactions energy: -131.763
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.180
local terms energy: -73.260234
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -16.758
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -195.168882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.168882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.168882 (E_RNA)
where:
Base-Base interactions energy: -118.599
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.487
local terms energy: -76.083411
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -9.914
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: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -196.119946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.119946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.119946 (E_RNA)
where:
Base-Base interactions energy: -124.937
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.105
local terms energy: -71.077665
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.067
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: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -175.166604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.166604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.166604 (E_RNA)
where:
Base-Base interactions energy: -107.282
where: short stacking energy: -51.358
Base-Backbone interact. energy: -0.049
local terms energy: -67.835451
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -97.880320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.880320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.880320 (E_RNA)
where:
Base-Base interactions energy: -49.441
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.005
local terms energy: -48.434287
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -9.422
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: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -87.288545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.288545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.288545 (E_RNA)
where:
Base-Base interactions energy: -34.155
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.191
local terms energy: -52.942134
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -84.650201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.650201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.650201 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -22.652
Base-Backbone interact. energy: 1.028
local terms energy: -48.793483
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -2.825
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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -78.187059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.187059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.187059 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.174
local terms energy: -47.806462
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -84.764492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764492 (E_RNA)
where:
Base-Base interactions energy: -34.590
where: short stacking energy: -20.710
Base-Backbone interact. energy: -0.865
local terms energy: -49.309863
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: 1.625
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: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -78.180407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180407 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -15.145
Base-Backbone interact. energy: -0.020
local terms energy: -52.332406
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -2.061
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: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -206.484732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.484732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.484732 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.390
local terms energy: -64.259992
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -194.418219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.418219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.418219 (E_RNA)
where:
Base-Base interactions energy: -119.082
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.019
local terms energy: -75.317125
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -14.558
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: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -209.856481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.856481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.856481 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.307
local terms energy: -73.492374
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.341
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: 29
Temperature: 1.050000
Total energy: -161.400650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.400650 (E_RNA)
where:
Base-Base interactions energy: -94.792
where: short stacking energy: -45.392
Base-Backbone interact. energy: -0.071
local terms energy: -66.536850
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -14.305
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: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -101.527899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.527899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.527899 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -35.320
Base-Backbone interact. energy: -0.044
local terms energy: -66.164541
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -86.298224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298224 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -21.683
Base-Backbone interact. energy: -0.482
local terms energy: -46.819418
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -90.663226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663226 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -22.459
Base-Backbone interact. energy: -0.382
local terms energy: -49.219452
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -90.371020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371020 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.243
local terms energy: -61.712491
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -84.215090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215090 (E_RNA)
where:
Base-Base interactions energy: -32.164
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.081
local terms energy: -51.970863
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -6.967
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: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -79.647014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.647014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.647014 (E_RNA)
where:
Base-Base interactions energy: -26.900
where: short stacking energy: -23.556
Base-Backbone interact. energy: -0.600
local terms energy: -52.146740
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.410
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: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -213.179086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.179086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.179086 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.000
local terms energy: -71.644058
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -201.775227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.775227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.775227 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.275
local terms energy: -72.831529
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -18.413
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: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -155.522055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.522055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.522055 (E_RNA)
where:
Base-Base interactions energy: -90.227
where: short stacking energy: -42.220
Base-Backbone interact. energy: -0.133
local terms energy: -65.162179
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -198.684134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.684134 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.007
local terms energy: -71.095190
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -17.957
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: 30
Temperature: 1.100000
Total energy: -101.764871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.764871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.764871 (E_RNA)
where:
Base-Base interactions energy: -51.826
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.098
local terms energy: -49.840114
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -1.366
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: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -88.205246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.205246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.205246 (E_RNA)
where:
Base-Base interactions energy: -35.517
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.036
local terms energy: -52.652368
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.499107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.499107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.499107 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.051
local terms energy: -53.814800
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -8.415
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: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -88.649656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649656 (E_RNA)
where:
Base-Base interactions energy: -32.901
where: short stacking energy: -32.901
Base-Backbone interact. energy: -0.149
local terms energy: -55.599588
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -6.496
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: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -78.127421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.127421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.127421 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.242
local terms energy: -42.732305
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: 0.424
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -71.452717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.452717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.452717 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -23.893
Base-Backbone interact. energy: 0.212
local terms energy: -46.245031
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: 0.662
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -219.980476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.980476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.980476 (E_RNA)
where:
Base-Base interactions energy: -144.236
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.148
local terms energy: -75.595905
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -211.474209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.474209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.474209 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.099
local terms energy: -74.893429
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -158.637944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.637944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.637944 (E_RNA)
where:
Base-Base interactions energy: -91.973
where: short stacking energy: -55.724
Base-Backbone interact. energy: -0.005
local terms energy: -66.659200
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -187.376767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.376767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.376767 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -48.352
Base-Backbone interact. energy: -0.300
local terms energy: -67.811060
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -106.324048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.324048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.324048 (E_RNA)
where:
Base-Base interactions energy: -46.497
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.010
local terms energy: -59.817304
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.765
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: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -101.428442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.428442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.428442 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.112
local terms energy: -63.758718
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -82.811084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.811084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.811084 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.059
local terms energy: -53.412277
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -92.351030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.351030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.351030 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -25.306
Base-Backbone interact. energy: 0.346
local terms energy: -59.343523
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -77.925310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925310 (E_RNA)
where:
Base-Base interactions energy: -22.764
where: short stacking energy: -22.764
Base-Backbone interact. energy: -0.257
local terms energy: -54.904057
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -68.255263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.255263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.255263 (E_RNA)
where:
Base-Base interactions energy: -22.590
where: short stacking energy: -20.758
Base-Backbone interact. energy: 0.416
local terms energy: -46.080373
where:
bonds (distance) C4'-P energy: -6.666
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -211.986754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.986754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.986754 (E_RNA)
where:
Base-Base interactions energy: -139.917
where: short stacking energy: -62.316
Base-Backbone interact. energy: 0.277
local terms energy: -72.345842
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -8.889
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: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -207.946761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.946761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.946761 (E_RNA)
where:
Base-Base interactions energy: -130.333
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.335
local terms energy: -77.278517
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -185.750031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750031 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.193
local terms energy: -67.130544
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -157.180452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.180452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.180452 (E_RNA)
where:
Base-Base interactions energy: -94.493
where: short stacking energy: -54.863
Base-Backbone interact. energy: 0.186
local terms energy: -62.873508
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -9.806
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: 32
Temperature: 1.100000
Total energy: -94.032580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.032580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.032580 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.008
local terms energy: -54.725416
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -99.201649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.201649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.201649 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.300
local terms energy: -57.882318
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -8.034
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -92.950661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.950661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.950661 (E_RNA)
where:
Base-Base interactions energy: -36.295
where: short stacking energy: -32.454
Base-Backbone interact. energy: -0.028
local terms energy: -56.627632
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -72.020184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.020184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.020184 (E_RNA)
where:
Base-Base interactions energy: -19.247
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.093
local terms energy: -52.680648
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -76.864050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864050 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -23.050
Base-Backbone interact. energy: -0.063
local terms energy: -48.804893
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -84.030380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.030380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.030380 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -21.609
Base-Backbone interact. energy: -0.568
local terms energy: -51.227121
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -209.365007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.365007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.365007 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -58.950
Base-Backbone interact. energy: 0.099
local terms energy: -72.467017
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -200.555467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.555467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.555467 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -63.347
Base-Backbone interact. energy: -0.042
local terms energy: -70.826336
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -18.517
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -207.270547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.270547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.270547 (E_RNA)
where:
Base-Base interactions energy: -129.313
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.006
local terms energy: -77.951492
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -155.210467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.210467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.210467 (E_RNA)
where:
Base-Base interactions energy: -87.157
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.052
local terms energy: -68.002140
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -96.480695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480695 (E_RNA)
where:
Base-Base interactions energy: -42.776
where: short stacking energy: -31.901
Base-Backbone interact. energy: -0.024
local terms energy: -53.680479
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -1.828
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: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -103.392212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.392212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.392212 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.037
local terms energy: -63.573465
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -83.806236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.806236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.806236 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -17.556
Base-Backbone interact. energy: -0.325
local terms energy: -43.530486
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -7.368
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -84.521237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521237 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.502
Base-Backbone interact. energy: 0.354
local terms energy: -53.037970
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -81.759881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.759881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.759881 (E_RNA)
where:
Base-Base interactions energy: -31.110
where: short stacking energy: -19.976
Base-Backbone interact. energy: -0.023
local terms energy: -50.627575
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -79.139683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.139683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.139683 (E_RNA)
where:
Base-Base interactions energy: -29.290
where: short stacking energy: -24.954
Base-Backbone interact. energy: -0.179
local terms energy: -49.671336
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: 0.006
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: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -209.373097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.373097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.373097 (E_RNA)
where:
Base-Base interactions energy: -132.511
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.093
local terms energy: -76.769483
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -198.744371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.744371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.744371 (E_RNA)
where:
Base-Base interactions energy: -132.737
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.091
local terms energy: -65.916371
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -16.921
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -198.066796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.066796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.066796 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.097
local terms energy: -75.938204
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -162.695314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.695314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.695314 (E_RNA)
where:
Base-Base interactions energy: -100.911
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.002
local terms energy: -61.782258
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -8.932
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: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -102.871278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.871278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.871278 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.116
local terms energy: -58.420257
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.304
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -101.598374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.598374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.598374 (E_RNA)
where:
Base-Base interactions energy: -39.760
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.068
local terms energy: -61.770056
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -88.024899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024899 (E_RNA)
where:
Base-Base interactions energy: -30.891
where: short stacking energy: -22.654
Base-Backbone interact. energy: 0.493
local terms energy: -57.626655
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -12.548
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: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -96.933118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.933118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.933118 (E_RNA)
where:
Base-Base interactions energy: -48.675
where: short stacking energy: -29.580
Base-Backbone interact. energy: -0.932
local terms energy: -47.325977
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -76.686742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.686742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.686742 (E_RNA)
where:
Base-Base interactions energy: -19.011
where: short stacking energy: -19.011
Base-Backbone interact. energy: -1.068
local terms energy: -56.607674
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -73.948538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948538 (E_RNA)
where:
Base-Base interactions energy: -33.640
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.435
local terms energy: -39.874051
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: 2.091
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: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -214.834017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.834017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.834017 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -67.537
Base-Backbone interact. energy: -0.035
local terms energy: -79.259852
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -205.616115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.616115 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.019
local terms energy: -74.808881
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -183.821242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.821242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.821242 (E_RNA)
where:
Base-Base interactions energy: -111.477
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.463
local terms energy: -71.881085
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -7.426
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: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -156.243626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.243626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.243626 (E_RNA)
where:
Base-Base interactions energy: -85.403
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.082
local terms energy: -70.758027
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -101.952879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.952879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.952879 (E_RNA)
where:
Base-Base interactions energy: -47.949
where: short stacking energy: -24.123
Base-Backbone interact. energy: -0.313
local terms energy: -53.690825
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -3.589
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: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -83.566026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.566026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.566026 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.132
local terms energy: -54.271345
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -3.730
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: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -94.345949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.345949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.345949 (E_RNA)
where:
Base-Base interactions energy: -35.770
where: short stacking energy: -31.753
Base-Backbone interact. energy: 1.160
local terms energy: -59.735783
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -81.232544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232544 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.193
local terms energy: -47.439605
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.179471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179471 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -19.923
Base-Backbone interact. energy: -0.007
local terms energy: -54.282186
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.229
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.543304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.543304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.543304 (E_RNA)
where:
Base-Base interactions energy: -31.457
where: short stacking energy: -21.295
Base-Backbone interact. energy: -0.144
local terms energy: -43.942152
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -207.090829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.090829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.090829 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.002
local terms energy: -76.674092
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -204.198619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.198619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.198619 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.006
local terms energy: -75.411746
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -158.106481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.106481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.106481 (E_RNA)
where:
Base-Base interactions energy: -92.407
where: short stacking energy: -52.536
Base-Backbone interact. energy: -0.069
local terms energy: -65.631342
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -181.394056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.394056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.394056 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.263
local terms energy: -64.225981
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -18.342
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: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -113.645675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.645675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.645675 (E_RNA)
where:
Base-Base interactions energy: -56.431
where: short stacking energy: -42.295
Base-Backbone interact. energy: -0.082
local terms energy: -57.133021
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -97.208154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.208154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.208154 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.004
local terms energy: -52.543372
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -8.476
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: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -88.215715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.215715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.215715 (E_RNA)
where:
Base-Base interactions energy: -40.356
where: short stacking energy: -28.872
Base-Backbone interact. energy: 0.221
local terms energy: -48.080576
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.784
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -85.608404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608404 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.112
local terms energy: -48.837209
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -76.166564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.166564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.166564 (E_RNA)
where:
Base-Base interactions energy: -22.216
where: short stacking energy: -17.159
Base-Backbone interact. energy: -1.173
local terms energy: -52.776722
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -71.493091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.493091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.493091 (E_RNA)
where:
Base-Base interactions energy: -27.371
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.513
local terms energy: -43.609437
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -205.571087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.571087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571087 (E_RNA)
where:
Base-Base interactions energy: -131.477
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.059
local terms energy: -74.034170
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -206.672616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.672616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.672616 (E_RNA)
where:
Base-Base interactions energy: -126.430
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.985
local terms energy: -79.257707
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.119
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -150.055329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.055329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.055329 (E_RNA)
where:
Base-Base interactions energy: -88.710
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.063
local terms energy: -61.281522
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -7.284
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: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -198.905177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905177 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.032
local terms energy: -75.181605
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -21.361
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -119.704369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.704369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.704369 (E_RNA)
where:
Base-Base interactions energy: -57.447
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.085
local terms energy: -62.172238
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -13.311
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -96.964793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.964793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.964793 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.074
local terms energy: -61.431026
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -7.988
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: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -83.202225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202225 (E_RNA)
where:
Base-Base interactions energy: -27.471
where: short stacking energy: -16.768
Base-Backbone interact. energy: 0.341
local terms energy: -56.071631
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -80.018301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018301 (E_RNA)
where:
Base-Base interactions energy: -23.015
where: short stacking energy: -17.746
Base-Backbone interact. energy: 0.004
local terms energy: -57.006937
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -73.631943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.631943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.631943 (E_RNA)
where:
Base-Base interactions energy: -22.530
where: short stacking energy: -22.360
Base-Backbone interact. energy: -0.004
local terms energy: -51.097251
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.220
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: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -71.019295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.019295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.019295 (E_RNA)
where:
Base-Base interactions energy: -22.046
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.189
local terms energy: -48.784712
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: 0.043
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -207.296720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.296720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.296720 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.348
local terms energy: -73.030964
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.405
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -200.019026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.019026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.019026 (E_RNA)
where:
Base-Base interactions energy: -127.851
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.272
local terms energy: -71.896333
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -18.079
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: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -202.863185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.863185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.863185 (E_RNA)
where:
Base-Base interactions energy: -131.033
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.163
local terms energy: -71.666732
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -19.839
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: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -148.486792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.486792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.486792 (E_RNA)
where:
Base-Base interactions energy: -88.747
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.066
local terms energy: -59.673665
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -7.423
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: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -96.075066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.075066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.075066 (E_RNA)
where:
Base-Base interactions energy: -35.632
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.165
local terms energy: -60.278259
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -85.641108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641108 (E_RNA)
where:
Base-Base interactions energy: -37.855
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.161
local terms energy: -47.624602
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -6.828
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -84.261598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.261598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.261598 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.168
local terms energy: -55.655129
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -3.614
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: 38
Temperature: 1.250000
Total energy: -76.200449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.200449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.200449 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -18.082
Base-Backbone interact. energy: -0.785
local terms energy: -46.585239
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -4.286
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: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -76.368385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.368385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.368385 (E_RNA)
where:
Base-Base interactions energy: -23.351
where: short stacking energy: -23.351
Base-Backbone interact. energy: -0.123
local terms energy: -52.894558
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -1.968
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: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -85.825745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825745 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.379
local terms energy: -52.545304
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -212.536141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.536141 (E_RNA)
where:
Base-Base interactions energy: -134.195
where: short stacking energy: -68.426
Base-Backbone interact. energy: 0.235
local terms energy: -78.575880
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -202.247687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.247687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.247687 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -61.591
Base-Backbone interact. energy: 0.075
local terms energy: -71.139142
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -18.091
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: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -202.755137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.755137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.755137 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.075
local terms energy: -74.526030
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -21.644
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: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -152.520397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.520397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.520397 (E_RNA)
where:
Base-Base interactions energy: -88.389
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.171
local terms energy: -63.960454
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -90.415448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415448 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.140
local terms energy: -56.497005
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -98.568698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.568698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.568698 (E_RNA)
where:
Base-Base interactions energy: -39.056
where: short stacking energy: -29.005
Base-Backbone interact. energy: 1.284
local terms energy: -60.796171
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -87.827186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.827186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.827186 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.200
local terms energy: -46.289966
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -6.740
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -76.827198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.827198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.827198 (E_RNA)
where:
Base-Base interactions energy: -25.317
where: short stacking energy: -25.317
Base-Backbone interact. energy: 0.777
local terms energy: -52.287082
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -4.631
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: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -79.934053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.934053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.934053 (E_RNA)
where:
Base-Base interactions energy: -27.318
where: short stacking energy: -27.318
Base-Backbone interact. energy: -0.110
local terms energy: -52.505555
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -73.814674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.814674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.814674 (E_RNA)
where:
Base-Base interactions energy: -22.425
where: short stacking energy: -22.425
Base-Backbone interact. energy: -0.244
local terms energy: -51.145369
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -6.462
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: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -209.210269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210269 (E_RNA)
where:
Base-Base interactions energy: -136.667
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.056
local terms energy: -72.486943
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -17.142
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: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -206.894595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.894595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.894595 (E_RNA)
where:
Base-Base interactions energy: -132.461
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.060
local terms energy: -74.373595
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -177.098819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.098819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098819 (E_RNA)
where:
Base-Base interactions energy: -104.170
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.006
local terms energy: -72.922481
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -194.883334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.883334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.883334 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -55.221
Base-Backbone interact. energy: 0.332
local terms energy: -70.412340
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -92.844575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.844575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.844575 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -32.520
Base-Backbone interact. energy: -1.215
local terms energy: -49.402095
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -102.922648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.922648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.922648 (E_RNA)
where:
Base-Base interactions energy: -47.716
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.141
local terms energy: -55.064960
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -84.670162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.670162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.670162 (E_RNA)
where:
Base-Base interactions energy: -37.725
where: short stacking energy: -22.623
Base-Backbone interact. energy: -0.567
local terms energy: -46.377731
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -3.453
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: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -98.849152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.849152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.849152 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.453
local terms energy: -58.671562
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -2.243
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: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -77.863331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863331 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -25.839
Base-Backbone interact. energy: -0.021
local terms energy: -52.002806
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -76.867574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.867574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.867574 (E_RNA)
where:
Base-Base interactions energy: -20.632
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.849
local terms energy: -55.386875
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.724
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: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -211.295157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.295157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.295157 (E_RNA)
where:
Base-Base interactions energy: -133.219
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.015
local terms energy: -78.061303
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -162.521967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.521967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.521967 (E_RNA)
where:
Base-Base interactions energy: -92.956
where: short stacking energy: -55.597
Base-Backbone interact. energy: 0.251
local terms energy: -69.816656
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -11.037
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: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -177.240827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.240827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.240827 (E_RNA)
where:
Base-Base interactions energy: -112.236
where: short stacking energy: -40.446
Base-Backbone interact. energy: -0.128
local terms energy: -64.876530
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -102.310963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.310963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.310963 (E_RNA)
where:
Base-Base interactions energy: -45.210
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.000
local terms energy: -57.100178
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -6.827
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: 41
Temperature: 1.100000
Total energy: -180.401882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.401882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.401882 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.000
local terms energy: -65.279873
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -108.654052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.654052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.654052 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.225
local terms energy: -64.091362
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -6.837
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: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -113.849883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.849883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.849883 (E_RNA)
where:
Base-Base interactions energy: -66.188
where: short stacking energy: -31.270
Base-Backbone interact. energy: -0.127
local terms energy: -47.535326
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -2.238
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: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -79.862978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.862978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.862978 (E_RNA)
where:
Base-Base interactions energy: -28.634
where: short stacking energy: -9.689
Base-Backbone interact. energy: -0.132
local terms energy: -51.096384
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 2.674
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -77.150327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.150327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.150327 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -27.582
Base-Backbone interact. energy: 0.320
local terms energy: -49.888498
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -73.238873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.238873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.238873 (E_RNA)
where:
Base-Base interactions energy: -24.164
where: short stacking energy: -24.000
Base-Backbone interact. energy: 0.602
local terms energy: -49.677067
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -7.975
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: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -205.956739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.956739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.956739 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.000
local terms energy: -78.181307
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -174.175362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.175362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.175362 (E_RNA)
where:
Base-Base interactions energy: -101.931
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.177
local terms energy: -72.067921
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -172.906080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.906080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.906080 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -51.168
Base-Backbone interact. energy: -0.353
local terms energy: -62.483749
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.153
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: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -101.777299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.777299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.777299 (E_RNA)
where:
Base-Base interactions energy: -47.043
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.220
local terms energy: -54.514356
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.851
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: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -202.794081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.794081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.794081 (E_RNA)
where:
Base-Base interactions energy: -124.299
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.377
local terms energy: -78.118901
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -19.803
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: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -90.627610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627610 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.029
local terms energy: -57.572414
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -85.618403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618403 (E_RNA)
where:
Base-Base interactions energy: -27.474
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.138
local terms energy: -58.006878
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.971
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: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -97.461672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.461672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.461672 (E_RNA)
where:
Base-Base interactions energy: -53.023
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.111
local terms energy: -44.328127
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -78.146043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.146043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.146043 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -17.258
Base-Backbone interact. energy: -0.177
local terms energy: -48.886297
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -0.933
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: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -65.597248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.597248 (E_RNA)
where:
Base-Base interactions energy: -9.468
where: short stacking energy: -9.244
Base-Backbone interact. energy: -0.360
local terms energy: -55.769071
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -211.866854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.866854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.866854 (E_RNA)
where:
Base-Base interactions energy: -130.166
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.449
local terms energy: -81.252281
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -177.026055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026055 (E_RNA)
where:
Base-Base interactions energy: -105.299
where: short stacking energy: -49.602
Base-Backbone interact. energy: -0.112
local terms energy: -71.615282
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -154.606038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.606038 (E_RNA)
where:
Base-Base interactions energy: -84.388
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.002
local terms energy: -70.216465
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -190.407130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.407130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.407130 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.252
local terms energy: -65.632581
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -151.903886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.903886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.903886 (E_RNA)
where:
Base-Base interactions energy: -90.752
where: short stacking energy: -50.985
Base-Backbone interact. energy: -0.028
local terms energy: -61.123688
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -89.286658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.286658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.286658 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.195
local terms energy: -51.563645
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -91.724844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724844 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.186
local terms energy: -56.529669
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -96.545581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545581 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.066
local terms energy: -63.007824
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -89.168867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.168867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.168867 (E_RNA)
where:
Base-Base interactions energy: -46.909
where: short stacking energy: -22.805
Base-Backbone interact. energy: -0.522
local terms energy: -41.737513
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -4.185
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -64.662463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.662463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.662463 (E_RNA)
where:
Base-Base interactions energy: -20.452
where: short stacking energy: -13.035
Base-Backbone interact. energy: -0.620
local terms energy: -43.590393
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: 5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -207.643267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.643267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.643267 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.136
local terms energy: -78.551822
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -22.357
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: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -179.546504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.546504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.546504 (E_RNA)
where:
Base-Base interactions energy: -112.392
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.991
local terms energy: -66.163359
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -17.092
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -198.152799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.152799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.152799 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.000
local terms energy: -73.806118
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -13.428
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: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -164.377606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.377606 (E_RNA)
where:
Base-Base interactions energy: -96.414
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.129
local terms energy: -67.834992
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -154.954683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.954683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.954683 (E_RNA)
where:
Base-Base interactions energy: -88.076
where: short stacking energy: -46.960
Base-Backbone interact. energy: -0.129
local terms energy: -66.749553
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -11.461
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: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -94.643898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.643898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.643898 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -31.642
Base-Backbone interact. energy: -0.302
local terms energy: -60.902998
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -91.233797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.233797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.233797 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -28.298
Base-Backbone interact. energy: 0.822
local terms energy: -48.297304
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -78.694463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.694463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.694463 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -23.543
Base-Backbone interact. energy: -0.158
local terms energy: -50.720224
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -4.686
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: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -71.533809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.533809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.533809 (E_RNA)
where:
Base-Base interactions energy: -26.113
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.089
local terms energy: -45.331091
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -69.457882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.457882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.457882 (E_RNA)
where:
Base-Base interactions energy: -20.725
where: short stacking energy: -19.004
Base-Backbone interact. energy: -0.950
local terms energy: -47.782598
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -10.978
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -207.502437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.502437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.502437 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.092
local terms energy: -74.430708
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -8.687
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: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -198.912295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.912295 (E_RNA)
where:
Base-Base interactions energy: -125.958
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.536
local terms energy: -72.418596
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -175.618203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.618203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.618203 (E_RNA)
where:
Base-Base interactions energy: -110.659
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.161
local terms energy: -64.798467
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -152.280224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.280224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.280224 (E_RNA)
where:
Base-Base interactions energy: -89.532
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.018
local terms energy: -62.729771
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -148.189751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.189751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.189751 (E_RNA)
where:
Base-Base interactions energy: -83.572
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.024
local terms energy: -64.593849
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -85.548412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.548412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.548412 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -21.659
Base-Backbone interact. energy: 0.180
local terms energy: -49.955608
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -86.975104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.975104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.975104 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.105
local terms energy: -56.910859
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -82.048443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.048443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.048443 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -21.756
Base-Backbone interact. energy: 0.673
local terms energy: -49.684166
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -81.164534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164534 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -28.442
Base-Backbone interact. energy: 0.704
local terms energy: -47.016142
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -74.599428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.599428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.599428 (E_RNA)
where:
Base-Base interactions energy: -28.678
where: short stacking energy: -26.552
Base-Backbone interact. energy: 2.142
local terms energy: -48.064281
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -6.088
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -201.260833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260833 (E_RNA)
where:
Base-Base interactions energy: -122.241
where: short stacking energy: -58.577
Base-Backbone interact. energy: 1.450
local terms energy: -80.469938
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -202.764821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.764821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.764821 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.014
local terms energy: -74.258438
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -19.968
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: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -186.520013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.520013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.520013 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -53.108
Base-Backbone interact. energy: -0.047
local terms energy: -69.011252
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -12.695
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: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -157.981863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.981863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.981863 (E_RNA)
where:
Base-Base interactions energy: -96.468
where: short stacking energy: -53.430
Base-Backbone interact. energy: 0.371
local terms energy: -61.884230
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -11.119
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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -143.710864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.710864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.710864 (E_RNA)
where:
Base-Base interactions energy: -74.793
where: short stacking energy: -41.778
Base-Backbone interact. energy: -0.141
local terms energy: -68.777517
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -9.086
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: 46
Temperature: 1.150000
Total energy: -88.760044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760044 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.019
local terms energy: -55.724147
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -89.837780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837780 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -21.883
Base-Backbone interact. energy: 1.019
local terms energy: -52.443882
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -11.074
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: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -73.818583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.818583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.818583 (E_RNA)
where:
Base-Base interactions energy: -30.403
where: short stacking energy: -28.372
Base-Backbone interact. energy: 2.052
local terms energy: -45.467606
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -8.037
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: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -97.798719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.798719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.798719 (E_RNA)
where:
Base-Base interactions energy: -57.170
where: short stacking energy: -21.793
Base-Backbone interact. energy: -0.178
local terms energy: -40.450817
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -0.034
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: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -85.120880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.120880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.120880 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -22.729
Base-Backbone interact. energy: -0.367
local terms energy: -42.537011
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -204.113119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.113119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.113119 (E_RNA)
where:
Base-Base interactions energy: -129.380
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.004
local terms energy: -74.729205
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -191.352455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.352455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.352455 (E_RNA)
where:
Base-Base interactions energy: -121.015
where: short stacking energy: -62.084
Base-Backbone interact. energy: -0.015
local terms energy: -70.323049
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -209.977345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977345 (E_RNA)
where:
Base-Base interactions energy: -135.807
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.590
local terms energy: -73.579995
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -156.821727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.821727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.821727 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -48.949
Base-Backbone interact. energy: -0.298
local terms energy: -64.323232
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -13.198
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -146.325252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.325252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.325252 (E_RNA)
where:
Base-Base interactions energy: -87.607
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.135
local terms energy: -58.583420
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -83.836219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.836219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.836219 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -22.393
Base-Backbone interact. energy: -0.074
local terms energy: -48.995390
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -92.984650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984650 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.110
local terms energy: -57.395032
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -8.913
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: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -87.805152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805152 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.819
local terms energy: -54.259562
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -6.899
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -75.855018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.855018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.855018 (E_RNA)
where:
Base-Base interactions energy: -22.755
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.179
local terms energy: -52.921228
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -75.608342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.608342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.608342 (E_RNA)
where:
Base-Base interactions energy: -26.429
where: short stacking energy: -20.202
Base-Backbone interact. energy: 1.311
local terms energy: -50.490276
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.297
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: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -211.473701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.473701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.473701 (E_RNA)
where:
Base-Base interactions energy: -133.488
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.644
local terms energy: -77.341405
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -21.500
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: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -199.912274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.912274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.912274 (E_RNA)
where:
Base-Base interactions energy: -123.710
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.078
local terms energy: -76.124793
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -9.238
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: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -207.738255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.738255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.738255 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -70.958
Base-Backbone interact. energy: -0.018
local terms energy: -73.556408
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -5.844
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: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -150.608685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.608685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.608685 (E_RNA)
where:
Base-Base interactions energy: -90.462
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.038
local terms energy: -60.108464
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -97.801731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.801731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.801731 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.037
local terms energy: -51.880078
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -8.310
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -135.137270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.137270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.137270 (E_RNA)
where:
Base-Base interactions energy: -76.788
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.349
local terms energy: -58.000734
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -88.074599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.074599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.074599 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.040
local terms energy: -53.744032
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -80.234237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.234237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.234237 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -30.597
Base-Backbone interact. energy: -0.082
local terms energy: -49.538845
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -76.579280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.579280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.579280 (E_RNA)
where:
Base-Base interactions energy: -25.442
where: short stacking energy: -25.442
Base-Backbone interact. energy: -0.207
local terms energy: -50.930650
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -70.360909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360909 (E_RNA)
where:
Base-Base interactions energy: -20.067
where: short stacking energy: -12.352
Base-Backbone interact. energy: -1.001
local terms energy: -49.293854
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -3.129
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: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -207.958571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.958571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.958571 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.604
local terms energy: -74.171144
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -212.319517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.319517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.319517 (E_RNA)
where:
Base-Base interactions energy: -139.343
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.094
local terms energy: -72.882804
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.580
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -202.173034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.173034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.173034 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.001
local terms energy: -71.933368
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.056
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: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -164.961416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.961416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.961416 (E_RNA)
where:
Base-Base interactions energy: -95.505
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.223
local terms energy: -69.233473
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -9.422
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -100.859521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.859521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.859521 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -39.755
Base-Backbone interact. energy: -0.169
local terms energy: -60.935275
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -5.769
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: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -138.649573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.649573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.649573 (E_RNA)
where:
Base-Base interactions energy: -77.334
where: short stacking energy: -42.983
Base-Backbone interact. energy: 0.078
local terms energy: -61.393806
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -96.692622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.692622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.692622 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.009
local terms energy: -57.220681
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -9.103
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -78.376338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376338 (E_RNA)
where:
Base-Base interactions energy: -26.760
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.186
local terms energy: -51.430435
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -80.342299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342299 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -21.167
Base-Backbone interact. energy: 0.087
local terms energy: -48.313711
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -75.792196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.792196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.792196 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.201
local terms energy: -44.304445
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -9.250
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: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -208.147774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147774 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.694
local terms energy: -73.889565
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -205.261171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261171 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.024
local terms energy: -74.586160
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -21.211
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: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -200.219469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.219469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.219469 (E_RNA)
where:
Base-Base interactions energy: -126.171
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.093
local terms energy: -73.955624
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -21.108
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: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -160.740754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.740754 (E_RNA)
where:
Base-Base interactions energy: -95.196
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.014
local terms energy: -65.530161
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -8.398
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: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -156.285572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.285572 (E_RNA)
where:
Base-Base interactions energy: -82.892
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.023
local terms energy: -73.370701
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -86.656603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.656603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.656603 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.264
local terms energy: -48.186515
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.275
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: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -87.690630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690630 (E_RNA)
where:
Base-Base interactions energy: -37.985
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.253
local terms energy: -49.452803
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -96.211185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.211185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.211185 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -38.686
Base-Backbone interact. energy: 0.676
local terms energy: -58.200971
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -10.924
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -75.077773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.077773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.077773 (E_RNA)
where:
Base-Base interactions energy: -24.421
where: short stacking energy: -21.417
Base-Backbone interact. energy: -0.135
local terms energy: -50.522168
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -0.263
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: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -73.495987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.495987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.495987 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -24.906
Base-Backbone interact. energy: 0.931
local terms energy: -43.840902
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -1.799
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: 51
Temperature: 0.900000
Total energy: -205.441182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.441182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.441182 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -66.486
Base-Backbone interact. energy: -0.055
local terms energy: -81.872750
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -204.861496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.861496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.861496 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -68.302
Base-Backbone interact. energy: 2.484
local terms energy: -74.638216
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -23.922
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -191.169456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.169456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.169456 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.118
local terms energy: -72.206239
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -152.860086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.860086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.860086 (E_RNA)
where:
Base-Base interactions energy: -84.049
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.158
local terms energy: -68.653736
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -150.225341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.225341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.225341 (E_RNA)
where:
Base-Base interactions energy: -81.248
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.026
local terms energy: -68.951491
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -12.683
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: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -139.064449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.064449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.064449 (E_RNA)
where:
Base-Base interactions energy: -85.191
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.294
local terms energy: -53.579461
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -3.392
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: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -86.532892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.532892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.532892 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -30.009
Base-Backbone interact. energy: -0.446
local terms energy: -56.078247
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -77.796830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.796830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.796830 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -15.734
Base-Backbone interact. energy: -0.102
local terms energy: -51.619394
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -77.202280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202280 (E_RNA)
where:
Base-Base interactions energy: -22.391
where: short stacking energy: -21.603
Base-Backbone interact. energy: -0.105
local terms energy: -54.706147
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -11.723
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: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -79.100824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.100824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.100824 (E_RNA)
where:
Base-Base interactions energy: -27.886
where: short stacking energy: -18.706
Base-Backbone interact. energy: -1.089
local terms energy: -50.125311
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -212.203403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.203403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.203403 (E_RNA)
where:
Base-Base interactions energy: -128.471
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.009
local terms energy: -83.723435
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -23.164
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: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -198.791145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.791145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.791145 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -58.918
Base-Backbone interact. energy: 0.401
local terms energy: -75.836729
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -14.005
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: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -190.632886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.632886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.632886 (E_RNA)
where:
Base-Base interactions energy: -121.959
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.037
local terms energy: -68.637602
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -144.294630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.294630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.294630 (E_RNA)
where:
Base-Base interactions energy: -83.864
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.133
local terms energy: -60.296756
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -158.014376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.014376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.014376 (E_RNA)
where:
Base-Base interactions energy: -94.434
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.103
local terms energy: -63.478105
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -138.005795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.005795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.005795 (E_RNA)
where:
Base-Base interactions energy: -72.944
where: short stacking energy: -38.918
Base-Backbone interact. energy: -1.051
local terms energy: -64.010847
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -89.417884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.417884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.417884 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -35.818
Base-Backbone interact. energy: 0.881
local terms energy: -51.725216
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -79.884389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.884389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.884389 (E_RNA)
where:
Base-Base interactions energy: -30.668
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.043
local terms energy: -49.174143
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -78.703864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.703864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.703864 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -12.027
Base-Backbone interact. energy: -0.216
local terms energy: -47.095270
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: 0.795
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: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -71.137966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.137966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.137966 (E_RNA)
where:
Base-Base interactions energy: -28.802
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.214
local terms energy: -42.121480
where:
bonds (distance) C4'-P energy: -5.935
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -206.458969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.458969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.458969 (E_RNA)
where:
Base-Base interactions energy: -131.942
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.005
local terms energy: -74.512342
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.441
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: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -203.039967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.039967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.039967 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -59.031
Base-Backbone interact. energy: 0.557
local terms energy: -70.652028
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.677
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: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -194.842695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.842695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.842695 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.315
local terms energy: -71.550242
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -186.435376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.435376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.435376 (E_RNA)
where:
Base-Base interactions energy: -117.359
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.155
local terms energy: -68.921795
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -133.453043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.453043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.453043 (E_RNA)
where:
Base-Base interactions energy: -80.322
where: short stacking energy: -36.494
Base-Backbone interact. energy: -0.358
local terms energy: -52.772557
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -113.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.640356 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.120
local terms energy: -60.515953
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -125.228687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.228687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.228687 (E_RNA)
where:
Base-Base interactions energy: -70.033
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.441
local terms energy: -54.754672
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -83.263799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.263799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.263799 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.140
local terms energy: -51.613311
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -3.573
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: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -84.843887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.843887 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.026
local terms energy: -49.669234
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -66.985720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.985720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.985720 (E_RNA)
where:
Base-Base interactions energy: -16.838
where: short stacking energy: -12.776
Base-Backbone interact. energy: -1.457
local terms energy: -48.690759
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -213.110968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.110968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110968 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -64.557
Base-Backbone interact. energy: 0.868
local terms energy: -83.179261
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -201.149347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.149347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.149347 (E_RNA)
where:
Base-Base interactions energy: -126.147
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.101
local terms energy: -74.902244
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -10.565
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: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -206.995717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.995717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.995717 (E_RNA)
where:
Base-Base interactions energy: -128.312
where: short stacking energy: -61.387
Base-Backbone interact. energy: -0.023
local terms energy: -78.660196
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -18.543
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: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -200.564319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.564319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.564319 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -62.711
Base-Backbone interact. energy: 2.348
local terms energy: -72.340087
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -154.299328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.299328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.299328 (E_RNA)
where:
Base-Base interactions energy: -86.558
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.069
local terms energy: -67.672376
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -90.958259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.958259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.958259 (E_RNA)
where:
Base-Base interactions energy: -41.268
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.094
local terms energy: -49.596617
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -130.703412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.703412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.703412 (E_RNA)
where:
Base-Base interactions energy: -87.029
where: short stacking energy: -36.982
Base-Backbone interact. energy: -0.258
local terms energy: -43.417110
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -80.177639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.177639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.177639 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -18.559
Base-Backbone interact. energy: -0.899
local terms energy: -46.867010
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.816
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -87.259683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.259683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.259683 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -36.173
Base-Backbone interact. energy: -0.135
local terms energy: -46.249225
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -3.415
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -71.086603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.086603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.086603 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -17.285
Base-Backbone interact. energy: -0.197
local terms energy: -40.386710
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -1.637
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: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -201.979486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.979486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.979486 (E_RNA)
where:
Base-Base interactions energy: -125.744
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.787
local terms energy: -75.448276
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -20.162
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -196.893205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893205 (E_RNA)
where:
Base-Base interactions energy: -127.290
where: short stacking energy: -64.688
Base-Backbone interact. energy: -0.003
local terms energy: -69.599897
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -186.111835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.111835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.111835 (E_RNA)
where:
Base-Base interactions energy: -119.680
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.083
local terms energy: -66.349080
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.829
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: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -192.258266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.258266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.258266 (E_RNA)
where:
Base-Base interactions energy: -121.173
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.001
local terms energy: -71.083875
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -112.909980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.909980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.909980 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.284
local terms energy: -61.004671
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -113.094726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.094726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.094726 (E_RNA)
where:
Base-Base interactions energy: -61.204
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.302
local terms energy: -51.588757
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -92.119324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.119324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.119324 (E_RNA)
where:
Base-Base interactions energy: -48.464
where: short stacking energy: -32.347
Base-Backbone interact. energy: 1.347
local terms energy: -45.001725
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -5.963
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: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -83.318889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318889 (E_RNA)
where:
Base-Base interactions energy: -34.606
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.162
local terms energy: -48.551269
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -11.429
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: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -73.143686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.143686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.143686 (E_RNA)
where:
Base-Base interactions energy: -25.170
where: short stacking energy: -18.225
Base-Backbone interact. energy: 0.883
local terms energy: -48.856644
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -70.739558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.739558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.739558 (E_RNA)
where:
Base-Base interactions energy: -24.438
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.112
local terms energy: -46.189332
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -7.279
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: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -216.789974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.789974 (E_RNA)
where:
Base-Base interactions energy: -143.668
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.011
local terms energy: -73.110782
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -199.207593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207593 (E_RNA)
where:
Base-Base interactions energy: -126.629
where: short stacking energy: -65.370
Base-Backbone interact. energy: -0.337
local terms energy: -72.241618
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -21.789
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: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -203.431646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431646 (E_RNA)
where:
Base-Base interactions energy: -131.949
where: short stacking energy: -54.751
Base-Backbone interact. energy: 0.348
local terms energy: -71.830783
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -195.917515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.917515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.917515 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -53.305
Base-Backbone interact. energy: -1.029
local terms energy: -76.762770
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -96.720681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.720681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.720681 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.280
local terms energy: -62.229410
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -8.001
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: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -98.011958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.011958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.011958 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -31.522
Base-Backbone interact. energy: -0.111
local terms energy: -54.619197
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -6.257
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: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -83.233941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.233941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.233941 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -31.651
Base-Backbone interact. energy: -0.069
local terms energy: -51.514294
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.960
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: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -76.627260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.627260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.627260 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.951
local terms energy: -46.311435
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -82.759899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759899 (E_RNA)
where:
Base-Base interactions energy: -34.190
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.316
local terms energy: -48.253558
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -74.634945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634945 (E_RNA)
where:
Base-Base interactions energy: -30.600
where: short stacking energy: -21.974
Base-Backbone interact. energy: 0.446
local terms energy: -44.481246
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -209.844583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.844583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.844583 (E_RNA)
where:
Base-Base interactions energy: -131.886
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.016
local terms energy: -77.942439
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -209.967054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967054 (E_RNA)
where:
Base-Base interactions energy: -137.330
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.007
local terms energy: -72.629989
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -205.366613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.366613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.366613 (E_RNA)
where:
Base-Base interactions energy: -135.769
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.009
local terms energy: -69.588425
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.509
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: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -190.695206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.695206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.695206 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -52.726
Base-Backbone interact. energy: -0.081
local terms energy: -73.361128
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -17.912
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: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -96.219427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.219427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.219427 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.315
local terms energy: -55.962097
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -94.653480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.653480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.653480 (E_RNA)
where:
Base-Base interactions energy: -46.040
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.116
local terms energy: -48.497697
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -3.260
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: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -83.362302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362302 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -12.006
Base-Backbone interact. energy: -0.563
local terms energy: -53.331407
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.851
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: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -69.584397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.584397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.584397 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.281
local terms energy: -40.197747
where:
bonds (distance) C4'-P energy: -6.546
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -9.372
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: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -113.889447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.889447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.889447 (E_RNA)
where:
Base-Base interactions energy: -70.736
where: short stacking energy: -27.700
Base-Backbone interact. energy: -0.143
local terms energy: -43.010947
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: 1.100
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.762523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762523 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -27.600
Base-Backbone interact. energy: -0.247
local terms energy: -55.837104
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -4.171
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: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -214.401810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.401810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.401810 (E_RNA)
where:
Base-Base interactions energy: -135.647
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.398
local terms energy: -78.357484
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.569
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: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -204.088390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.088390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.088390 (E_RNA)
where:
Base-Base interactions energy: -125.985
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.001
local terms energy: -78.103165
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -22.847
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: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -187.992376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.992376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.992376 (E_RNA)
where:
Base-Base interactions energy: -115.525
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.008
local terms energy: -72.459695
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -17.459
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: 58
Temperature: 1.050000
Total energy: -200.520767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.520767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.520767 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -63.814
Base-Backbone interact. energy: 0.667
local terms energy: -71.004429
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.036
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: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -96.807774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.807774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.807774 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.695
local terms energy: -49.704055
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -8.908
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -76.894983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.894983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.894983 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.197
local terms energy: -45.536708
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -96.345444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.345444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.345444 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.215
local terms energy: -52.497167
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -1.370
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: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -95.371021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.371021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.371021 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.110
local terms energy: -52.167218
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -5.551
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: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -105.971928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.971928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.971928 (E_RNA)
where:
Base-Base interactions energy: -55.131
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.076
local terms energy: -50.765059
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -6.457
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: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -65.884087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.884087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.884087 (E_RNA)
where:
Base-Base interactions energy: -20.927
where: short stacking energy: -20.927
Base-Backbone interact. energy: -0.220
local terms energy: -44.736458
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -1.324
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: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -213.830884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.830884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.830884 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.021
local terms energy: -76.285933
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -22.229
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: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -212.856698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.856698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856698 (E_RNA)
where:
Base-Base interactions energy: -143.059
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.002
local terms energy: -69.795122
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -19.356
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: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -191.749019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.749019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.749019 (E_RNA)
where:
Base-Base interactions energy: -118.095
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.003
local terms energy: -73.651083
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -201.813726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.813726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.813726 (E_RNA)
where:
Base-Base interactions energy: -125.871
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.069
local terms energy: -75.873646
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -22.359
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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -111.099987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.099987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.099987 (E_RNA)
where:
Base-Base interactions energy: -55.352
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.020
local terms energy: -55.727248
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -97.056496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.056496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.056496 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -38.119
Base-Backbone interact. energy: -0.118
local terms energy: -58.713845
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -9.217
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -79.056236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.056236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.056236 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -12.851
Base-Backbone interact. energy: -0.010
local terms energy: -47.248433
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: 4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -77.078897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078897 (E_RNA)
where:
Base-Base interactions energy: -25.553
where: short stacking energy: -26.053
Base-Backbone interact. energy: -0.414
local terms energy: -51.111951
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 0.742
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: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -100.590606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.590606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.590606 (E_RNA)
where:
Base-Base interactions energy: -55.418
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.525
local terms energy: -44.648213
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -70.100823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.100823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.100823 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -17.367
Base-Backbone interact. energy: -0.247
local terms energy: -41.339663
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -204.348998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.348998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.348998 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.058
local terms energy: -77.203855
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -205.727157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.727157 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -66.405
Base-Backbone interact. energy: 0.447
local terms energy: -71.633088
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -200.369584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.369584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.369584 (E_RNA)
where:
Base-Base interactions energy: -125.301
where: short stacking energy: -53.193
Base-Backbone interact. energy: -0.171
local terms energy: -74.897151
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -11.809
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: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -196.793670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.793670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.793670 (E_RNA)
where:
Base-Base interactions energy: -122.969
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.009
local terms energy: -73.815653
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -123.815464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.815464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.815464 (E_RNA)
where:
Base-Base interactions energy: -58.315
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.089
local terms energy: -65.411582
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -98.581325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.581325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.581325 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -30.463
Base-Backbone interact. energy: -0.060
local terms energy: -56.569601
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -7.476
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: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -90.228602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.228602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.228602 (E_RNA)
where:
Base-Base interactions energy: -41.291
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.095
local terms energy: -48.841684
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.312090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312090 (E_RNA)
where:
Base-Base interactions energy: -38.559
where: short stacking energy: -24.928
Base-Backbone interact. energy: 2.188
local terms energy: -48.940998
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -5.359
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: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -77.035961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.035961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.035961 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -23.690
Base-Backbone interact. energy: -0.129
local terms energy: -46.618003
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -70.733428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.733428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.733428 (E_RNA)
where:
Base-Base interactions energy: -30.039
where: short stacking energy: -23.477
Base-Backbone interact. energy: -0.177
local terms energy: -40.517397
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -2.065
tors. eta vs tors. theta energy: -1.777
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: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -215.854972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.854972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.854972 (E_RNA)
where:
Base-Base interactions energy: -133.640
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.151
local terms energy: -82.063318
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -208.568306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.568306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.568306 (E_RNA)
where:
Base-Base interactions energy: -135.909
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.437
local terms energy: -72.221997
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -207.564254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.564254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.564254 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.206
local terms energy: -73.177297
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -183.301513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.301513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301513 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.003
local terms energy: -66.372904
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.516
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: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -137.830544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.830544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.830544 (E_RNA)
where:
Base-Base interactions energy: -74.461
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.340
local terms energy: -63.029922
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -6.738
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -99.624799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.624799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.624799 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -18.843
Base-Backbone interact. energy: -0.472
local terms energy: -54.333028
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -3.646
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: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -91.235993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235993 (E_RNA)
where:
Base-Base interactions energy: -45.877
where: short stacking energy: -21.904
Base-Backbone interact. energy: -0.232
local terms energy: -45.126776
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -78.252679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.252679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.252679 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -26.931
Base-Backbone interact. energy: 0.353
local terms energy: -39.793448
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -70.382414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.382414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.382414 (E_RNA)
where:
Base-Base interactions energy: -20.127
where: short stacking energy: -15.928
Base-Backbone interact. energy: -0.039
local terms energy: -50.217050
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -70.900594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.900594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.900594 (E_RNA)
where:
Base-Base interactions energy: -21.924
where: short stacking energy: -17.005
Base-Backbone interact. energy: -0.203
local terms energy: -48.773731
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: 0.771
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: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -211.052936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.052936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.052936 (E_RNA)
where:
Base-Base interactions energy: -136.035
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.157
local terms energy: -74.860455
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -212.793570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.793570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.793570 (E_RNA)
where:
Base-Base interactions energy: -142.230
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.549
local terms energy: -70.014223
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -12.220
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: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -200.892758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.892758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.892758 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.010
local terms energy: -74.870223
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -15.622
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: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -196.535299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.535299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.535299 (E_RNA)
where:
Base-Base interactions energy: -120.371
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.149
local terms energy: -76.014810
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -140.627945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.627945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.627945 (E_RNA)
where:
Base-Base interactions energy: -79.655
where: short stacking energy: -40.653
Base-Backbone interact. energy: 0.014
local terms energy: -60.986320
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -118.649510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.649510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.649510 (E_RNA)
where:
Base-Base interactions energy: -65.317
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.132
local terms energy: -53.200585
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -90.498618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.498618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.498618 (E_RNA)
where:
Base-Base interactions energy: -39.843
where: short stacking energy: -18.804
Base-Backbone interact. energy: -1.730
local terms energy: -48.925092
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -0.594
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -85.268673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.268673 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.072
local terms energy: -48.414651
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -3.075
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: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -72.483659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.483659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.483659 (E_RNA)
where:
Base-Base interactions energy: -19.416
where: short stacking energy: -18.866
Base-Backbone interact. energy: -0.121
local terms energy: -52.946252
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -0.114
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: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -69.444038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.444038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.444038 (E_RNA)
where:
Base-Base interactions energy: -14.415
where: short stacking energy: -14.415
Base-Backbone interact. energy: -0.054
local terms energy: -54.974975
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -8.875
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -213.264626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.264626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.264626 (E_RNA)
where:
Base-Base interactions energy: -135.333
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.473
local terms energy: -77.458611
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -18.072
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -201.767977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.767977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.767977 (E_RNA)
where:
Base-Base interactions energy: -124.775
where: short stacking energy: -61.847
Base-Backbone interact. energy: -1.107
local terms energy: -75.885985
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -186.399074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.399074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.399074 (E_RNA)
where:
Base-Base interactions energy: -119.086
where: short stacking energy: -58.768
Base-Backbone interact. energy: 2.007
local terms energy: -69.320558
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -10.568
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: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -192.892148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.892148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.892148 (E_RNA)
where:
Base-Base interactions energy: -123.819
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.622
local terms energy: -68.451954
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -107.838376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.838376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.838376 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.089
local terms energy: -56.357618
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -7.883
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: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -100.685961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.685961 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.104
local terms energy: -59.518474
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -134.691955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.691955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.691955 (E_RNA)
where:
Base-Base interactions energy: -75.146
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.193
local terms energy: -59.353577
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -81.104314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104314 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -31.578
Base-Backbone interact. energy: 0.827
local terms energy: -49.503595
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -77.467179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467179 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.325
local terms energy: -44.154623
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -68.017733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.017733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.017733 (E_RNA)
where:
Base-Base interactions energy: -18.327
where: short stacking energy: -14.253
Base-Backbone interact. energy: -0.156
local terms energy: -49.534679
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -208.759404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.759404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.759404 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.017
local terms energy: -78.641540
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -205.849089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.849089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.849089 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.925
local terms energy: -77.207373
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -199.954573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.954573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.954573 (E_RNA)
where:
Base-Base interactions energy: -124.181
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.008
local terms energy: -75.765809
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -198.239918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.239918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.239918 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.011
local terms energy: -68.088955
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -98.339627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.339627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.339627 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.700
local terms energy: -53.937749
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -10.852
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: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -93.025193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.025193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.025193 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -31.857
Base-Backbone interact. energy: -0.059
local terms energy: -58.153341
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -94.369433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369433 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -31.331
Base-Backbone interact. energy: -0.129
local terms energy: -59.455710
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -6.394
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -108.198188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.198188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.198188 (E_RNA)
where:
Base-Base interactions energy: -61.027
where: short stacking energy: -32.006
Base-Backbone interact. energy: -0.776
local terms energy: -46.395112
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -81.805073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.805073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.805073 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -24.039
Base-Backbone interact. energy: -0.230
local terms energy: -52.437113
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -9.896
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: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -76.424308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.424308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.424308 (E_RNA)
where:
Base-Base interactions energy: -22.965
where: short stacking energy: -16.935
Base-Backbone interact. energy: -0.612
local terms energy: -52.847251
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: 0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -213.468955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.468955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.468955 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.138
local terms energy: -75.778369
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -200.167665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.167665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.167665 (E_RNA)
where:
Base-Base interactions energy: -122.591
where: short stacking energy: -63.511
Base-Backbone interact. energy: -1.395
local terms energy: -76.181713
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.524
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -196.970444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.970444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.970444 (E_RNA)
where:
Base-Base interactions energy: -121.804
where: short stacking energy: -59.634
Base-Backbone interact. energy: 0.176
local terms energy: -75.343101
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -198.592065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.592065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592065 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.423
local terms energy: -71.084112
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.886
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: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -108.285372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.285372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.285372 (E_RNA)
where:
Base-Base interactions energy: -53.142
where: short stacking energy: -36.735
Base-Backbone interact. energy: -0.039
local terms energy: -55.104581
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.665
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: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -88.179185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.179185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.179185 (E_RNA)
where:
Base-Base interactions energy: -33.476
where: short stacking energy: -33.476
Base-Backbone interact. energy: -0.056
local terms energy: -54.647359
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.176558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.176558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.176558 (E_RNA)
where:
Base-Base interactions energy: -45.137
where: short stacking energy: -29.610
Base-Backbone interact. energy: 0.410
local terms energy: -49.449563
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -114.103923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.103923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.103923 (E_RNA)
where:
Base-Base interactions energy: -73.684
where: short stacking energy: -27.849
Base-Backbone interact. energy: -1.071
local terms energy: -39.349497
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -67.159840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.159840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.159840 (E_RNA)
where:
Base-Base interactions energy: -21.370
where: short stacking energy: -18.655
Base-Backbone interact. energy: 0.029
local terms energy: -45.818028
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -71.214628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.214628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.214628 (E_RNA)
where:
Base-Base interactions energy: -22.916
where: short stacking energy: -22.916
Base-Backbone interact. energy: -0.037
local terms energy: -48.261468
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -222.402396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.402396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.402396 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.027
local terms energy: -84.296306
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -203.241553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.241553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241553 (E_RNA)
where:
Base-Base interactions energy: -126.681
where: short stacking energy: -56.623
Base-Backbone interact. energy: 0.344
local terms energy: -76.904259
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.560
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: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -205.270563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.270563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.270563 (E_RNA)
where:
Base-Base interactions energy: -125.420
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.076
local terms energy: -79.774170
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -193.671771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.671771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.671771 (E_RNA)
where:
Base-Base interactions energy: -120.731
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.102
local terms energy: -72.838492
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -133.275106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.275106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.275106 (E_RNA)
where:
Base-Base interactions energy: -81.045
where: short stacking energy: -49.840
Base-Backbone interact. energy: 1.637
local terms energy: -53.866895
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -95.852034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.852034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.852034 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.126
local terms energy: -56.813205
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -93.312396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.312396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.312396 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -26.976
Base-Backbone interact. energy: -0.190
local terms energy: -55.824763
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -78.580114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580114 (E_RNA)
where:
Base-Base interactions energy: -29.426
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.031
local terms energy: -49.123909
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -84.576083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.576083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.576083 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.014
local terms energy: -48.329809
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -7.934
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: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -70.455894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.455894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.455894 (E_RNA)
where:
Base-Base interactions energy: -20.874
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.138
local terms energy: -49.443593
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -6.816
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -207.714623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.714623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.714623 (E_RNA)
where:
Base-Base interactions energy: -132.419
where: short stacking energy: -64.500
Base-Backbone interact. energy: -0.006
local terms energy: -75.289697
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -201.000507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.000507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.000507 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -61.990
Base-Backbone interact. energy: -0.709
local terms energy: -68.550790
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -196.660988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.660988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.660988 (E_RNA)
where:
Base-Base interactions energy: -126.615
where: short stacking energy: -59.148
Base-Backbone interact. energy: -0.077
local terms energy: -69.969264
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -6.928
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -196.089852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.089852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.089852 (E_RNA)
where:
Base-Base interactions energy: -121.183
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.082
local terms energy: -74.824387
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -13.245
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: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -122.928671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.928671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.928671 (E_RNA)
where:
Base-Base interactions energy: -68.646
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.001
local terms energy: -54.281663
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -97.443675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.443675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.443675 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -26.549
Base-Backbone interact. energy: 1.516
local terms energy: -62.208953
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -78.407445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407445 (E_RNA)
where:
Base-Base interactions energy: -26.384
where: short stacking energy: -18.461
Base-Backbone interact. energy: -0.596
local terms energy: -51.426765
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -83.227057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.227057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.227057 (E_RNA)
where:
Base-Base interactions energy: -26.435
where: short stacking energy: -26.435
Base-Backbone interact. energy: 0.774
local terms energy: -57.565806
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.431149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431149 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.265
local terms energy: -45.761200
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -4.134
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -9.916
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: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -79.111254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111254 (E_RNA)
where:
Base-Base interactions energy: -26.978
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.030
local terms energy: -52.103817
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: 0.693
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: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -206.053800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.053800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.053800 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.146
local terms energy: -78.096431
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -200.054640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.054640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.054640 (E_RNA)
where:
Base-Base interactions energy: -122.774
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.115
local terms energy: -77.165597
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -202.158058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.158058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.158058 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.262
local terms energy: -72.879599
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -199.705505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.705505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.705505 (E_RNA)
where:
Base-Base interactions energy: -129.156
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.003
local terms energy: -70.546895
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -21.266
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: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -108.375010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.375010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.375010 (E_RNA)
where:
Base-Base interactions energy: -53.615
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.313
local terms energy: -54.446979
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -110.583528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.583528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.583528 (E_RNA)
where:
Base-Base interactions energy: -59.078
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.284
local terms energy: -51.221911
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -89.965313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.965313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.965313 (E_RNA)
where:
Base-Base interactions energy: -27.993
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.189
local terms energy: -61.783106
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -8.521
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -76.054561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.054561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.054561 (E_RNA)
where:
Base-Base interactions energy: -30.460
where: short stacking energy: -28.753
Base-Backbone interact. energy: -0.153
local terms energy: -45.441645
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -78.093248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.093248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.093248 (E_RNA)
where:
Base-Base interactions energy: -25.268
where: short stacking energy: -17.466
Base-Backbone interact. energy: -0.161
local terms energy: -52.663887
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -74.813097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.813097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.813097 (E_RNA)
where:
Base-Base interactions energy: -29.633
where: short stacking energy: -21.148
Base-Backbone interact. energy: 1.651
local terms energy: -46.830622
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -203.986959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.986959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.986959 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.074
local terms energy: -76.982289
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -19.675
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -210.607213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.607213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.607213 (E_RNA)
where:
Base-Base interactions energy: -129.940
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.491
local terms energy: -80.175621
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -10.140
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: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -210.686427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.686427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.686427 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -68.450
Base-Backbone interact. energy: -1.671
local terms energy: -77.615106
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -205.599760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.599760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.599760 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -65.484
Base-Backbone interact. energy: -0.109
local terms energy: -73.881748
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -19.867
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: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -114.251474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.251474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.251474 (E_RNA)
where:
Base-Base interactions energy: -53.138
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.176
local terms energy: -60.938072
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -102.187445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.187445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.187445 (E_RNA)
where:
Base-Base interactions energy: -54.965
where: short stacking energy: -32.599
Base-Backbone interact. energy: -0.514
local terms energy: -46.707925
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -5.076
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -92.158822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.158822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.158822 (E_RNA)
where:
Base-Base interactions energy: -40.903
where: short stacking energy: -20.973
Base-Backbone interact. energy: -0.783
local terms energy: -50.472125
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -1.890
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: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -98.719682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.719682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.719682 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -25.693
Base-Backbone interact. energy: -0.080
local terms energy: -51.448807
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -72.256884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.256884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.256884 (E_RNA)
where:
Base-Base interactions energy: -23.889
where: short stacking energy: -21.623
Base-Backbone interact. energy: -0.341
local terms energy: -48.027153
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -3.763
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: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -74.310695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.310695 (E_RNA)
where:
Base-Base interactions energy: -22.642
where: short stacking energy: -13.479
Base-Backbone interact. energy: -0.123
local terms energy: -51.545944
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: 4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -209.958442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958442 (E_RNA)
where:
Base-Base interactions energy: -141.423
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.009
local terms energy: -68.527353
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -210.199268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.199268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.199268 (E_RNA)
where:
Base-Base interactions energy: -128.922
where: short stacking energy: -65.023
Base-Backbone interact. energy: -0.184
local terms energy: -81.092804
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -199.362702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.362702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.362702 (E_RNA)
where:
Base-Base interactions energy: -126.755
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.421
local terms energy: -72.186347
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.037
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: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -199.527700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527700 (E_RNA)
where:
Base-Base interactions energy: -124.319
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.002
local terms energy: -75.206891
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -127.975442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.975442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.975442 (E_RNA)
where:
Base-Base interactions energy: -72.978
where: short stacking energy: -41.211
Base-Backbone interact. energy: -0.179
local terms energy: -54.818562
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -110.624003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.624003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.624003 (E_RNA)
where:
Base-Base interactions energy: -53.928
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.045
local terms energy: -56.651372
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -129.770711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.770711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.770711 (E_RNA)
where:
Base-Base interactions energy: -79.453
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.186
local terms energy: -50.132147
where:
bonds (distance) C4'-P energy: -7.187
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -85.672962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.672962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.672962 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -13.742
Base-Backbone interact. energy: -0.165
local terms energy: -49.218766
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.001
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -74.909271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.909271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.909271 (E_RNA)
where:
Base-Base interactions energy: -25.785
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.137
local terms energy: -48.987517
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -68.771403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.771403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.771403 (E_RNA)
where:
Base-Base interactions energy: -22.141
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.406
local terms energy: -46.223635
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -213.751965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751965 (E_RNA)
where:
Base-Base interactions energy: -142.419
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.172
local terms energy: -71.161092
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.173
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: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -205.923298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.923298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.923298 (E_RNA)
where:
Base-Base interactions energy: -134.382
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.101
local terms energy: -71.439710
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -211.749858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.749858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.749858 (E_RNA)
where:
Base-Base interactions energy: -134.724
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.417
local terms energy: -76.608844
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.851
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: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -183.247797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.247797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.247797 (E_RNA)
where:
Base-Base interactions energy: -112.772
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.163
local terms energy: -70.313174
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -122.009518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.009518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.009518 (E_RNA)
where:
Base-Base interactions energy: -61.516
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.541
local terms energy: -59.951980
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -144.619092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.619092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.619092 (E_RNA)
where:
Base-Base interactions energy: -84.831
where: short stacking energy: -38.428
Base-Backbone interact. energy: 0.481
local terms energy: -60.268272
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -84.265821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265821 (E_RNA)
where:
Base-Base interactions energy: -29.473
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.100
local terms energy: -54.692287
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -78.311748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.311748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.311748 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.022
local terms energy: -47.647986
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -80.482445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.482445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.482445 (E_RNA)
where:
Base-Base interactions energy: -40.722
where: short stacking energy: -26.465
Base-Backbone interact. energy: 0.445
local terms energy: -40.205604
where:
bonds (distance) C4'-P energy: -7.344
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: 1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.577377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.577377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.577377 (E_RNA)
where:
Base-Base interactions energy: -29.681
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.032
local terms energy: -47.863785
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -4.870
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: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -210.300881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.300881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.300881 (E_RNA)
where:
Base-Base interactions energy: -131.312
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.222
local terms energy: -78.767246
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.464
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: 72
Temperature: 0.950000
Total energy: -210.233581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233581 (E_RNA)
where:
Base-Base interactions energy: -137.474
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.164
local terms energy: -72.594802
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -180.079320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.079320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.079320 (E_RNA)
where:
Base-Base interactions energy: -115.271
where: short stacking energy: -50.453
Base-Backbone interact. energy: -0.004
local terms energy: -64.804103
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -12.368
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: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -212.993189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.993189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993189 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -66.849
Base-Backbone interact. energy: -1.429
local terms energy: -78.578240
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.029
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: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -139.161400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.161400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.161400 (E_RNA)
where:
Base-Base interactions energy: -84.803
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.251
local terms energy: -54.106825
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -8.622
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -141.582065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.582065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.582065 (E_RNA)
where:
Base-Base interactions energy: -88.601
where: short stacking energy: -46.262
Base-Backbone interact. energy: -1.068
local terms energy: -51.912732
where:
bonds (distance) C4'-P energy: -6.237
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.606
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: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -85.463458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.463458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.463458 (E_RNA)
where:
Base-Base interactions energy: -27.357
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.038
local terms energy: -58.067895
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -6.601
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: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -84.406445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406445 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -16.598
Base-Backbone interact. energy: -0.050
local terms energy: -43.268494
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: 4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -75.348425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.348425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.348425 (E_RNA)
where:
Base-Base interactions energy: -24.929
where: short stacking energy: -22.678
Base-Backbone interact. energy: -0.175
local terms energy: -50.245118
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -72.248531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248531 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -22.104
Base-Backbone interact. energy: 6.763
local terms energy: -50.293425
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -5.997
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: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -212.528176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.528176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.528176 (E_RNA)
where:
Base-Base interactions energy: -137.880
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.005
local terms energy: -74.644144
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -24.341
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: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -211.088430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088430 (E_RNA)
where:
Base-Base interactions energy: -133.442
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.962
local terms energy: -76.684571
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -22.034
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: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -173.195408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195408 (E_RNA)
where:
Base-Base interactions energy: -100.320
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.123
local terms energy: -72.752163
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -12.754
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: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -188.797832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.797832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.797832 (E_RNA)
where:
Base-Base interactions energy: -122.492
where: short stacking energy: -57.319
Base-Backbone interact. energy: -0.546
local terms energy: -65.760505
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -6.461
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -85.278081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.278081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.278081 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -33.617
Base-Backbone interact. energy: 1.300
local terms energy: -50.305698
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -132.430650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.430650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.430650 (E_RNA)
where:
Base-Base interactions energy: -78.189
where: short stacking energy: -38.760
Base-Backbone interact. energy: -0.230
local terms energy: -54.011875
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -87.064744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064744 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.109
local terms energy: -53.969090
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -2.689
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: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -97.051174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.051174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.051174 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -18.677
Base-Backbone interact. energy: -0.603
local terms energy: -59.776004
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -5.633
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: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -85.082297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.082297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.082297 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.125
local terms energy: -51.016996
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -92.108074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108074 (E_RNA)
where:
Base-Base interactions energy: -51.760
where: short stacking energy: -16.765
Base-Backbone interact. energy: 0.716
local terms energy: -41.063921
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -209.817512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.817512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.817512 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -58.718
Base-Backbone interact. energy: -0.197
local terms energy: -78.213636
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -12.715
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: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -196.742728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.742728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.742728 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.315
local terms energy: -71.982321
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -187.076133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.076133 (E_RNA)
where:
Base-Base interactions energy: -125.813
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.633
local terms energy: -60.629443
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -7.592
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -196.273580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273580 (E_RNA)
where:
Base-Base interactions energy: -128.261
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.034
local terms energy: -67.978439
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -154.165844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.165844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.165844 (E_RNA)
where:
Base-Base interactions energy: -94.360
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.379
local terms energy: -59.426614
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -9.054
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: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -86.108228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108228 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -33.074
Base-Backbone interact. energy: -0.096
local terms energy: -52.937766
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -89.519333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.519333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.519333 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -21.753
Base-Backbone interact. energy: 0.077
local terms energy: -50.611484
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -112.128442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.128442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.128442 (E_RNA)
where:
Base-Base interactions energy: -54.258
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.285
local terms energy: -57.586158
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -77.609261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.609261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.609261 (E_RNA)
where:
Base-Base interactions energy: -28.252
where: short stacking energy: -28.252
Base-Backbone interact. energy: -0.111
local terms energy: -49.246917
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -7.446
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: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -75.280422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.280422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.280422 (E_RNA)
where:
Base-Base interactions energy: -21.302
where: short stacking energy: -21.602
Base-Backbone interact. energy: -0.106
local terms energy: -53.871954
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -207.897946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.897946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.897946 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.050
local terms energy: -71.195840
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -20.786
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -196.231173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231173 (E_RNA)
where:
Base-Base interactions energy: -125.891
where: short stacking energy: -69.794
Base-Backbone interact. energy: -0.005
local terms energy: -70.334948
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -199.527360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527360 (E_RNA)
where:
Base-Base interactions energy: -124.924
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.054
local terms energy: -74.549807
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -21.472
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: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -197.416106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.416106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.416106 (E_RNA)
where:
Base-Base interactions energy: -127.229
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.073
local terms energy: -70.114296
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -148.619638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.619638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.619638 (E_RNA)
where:
Base-Base interactions energy: -82.192
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.105
local terms energy: -66.322875
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -97.198447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198447 (E_RNA)
where:
Base-Base interactions energy: -56.082
where: short stacking energy: -41.682
Base-Backbone interact. energy: 0.662
local terms energy: -41.778833
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -6.553
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -103.636900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.636900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.636900 (E_RNA)
where:
Base-Base interactions energy: -49.335
where: short stacking energy: -34.923
Base-Backbone interact. energy: 0.401
local terms energy: -54.702912
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -74.811068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.811068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.811068 (E_RNA)
where:
Base-Base interactions energy: -17.816
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.003
local terms energy: -56.991532
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -103.007825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.007825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.007825 (E_RNA)
where:
Base-Base interactions energy: -54.399
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.170
local terms energy: -48.439085
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -73.502645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.502645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.502645 (E_RNA)
where:
Base-Base interactions energy: -31.764
where: short stacking energy: -20.768
Base-Backbone interact. energy: -0.127
local terms energy: -41.611952
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: 1.482
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: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -212.733078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.733078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.733078 (E_RNA)
where:
Base-Base interactions energy: -130.594
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.265
local terms energy: -81.874185
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -206.494365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.494365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.494365 (E_RNA)
where:
Base-Base interactions energy: -127.767
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.037
local terms energy: -78.690409
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -193.701841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.701841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.701841 (E_RNA)
where:
Base-Base interactions energy: -127.849
where: short stacking energy: -54.205
Base-Backbone interact. energy: -0.652
local terms energy: -65.200467
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -198.433357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.433357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433357 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -62.327
Base-Backbone interact. energy: 0.332
local terms energy: -77.324743
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -147.224051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.224051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.224051 (E_RNA)
where:
Base-Base interactions energy: -95.296
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.447
local terms energy: -51.480145
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -7.537
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: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -98.854075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.854075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.854075 (E_RNA)
where:
Base-Base interactions energy: -42.462
where: short stacking energy: -29.957
Base-Backbone interact. energy: 0.979
local terms energy: -57.370996
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -6.961
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: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -92.338707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338707 (E_RNA)
where:
Base-Base interactions energy: -39.392
where: short stacking energy: -28.816
Base-Backbone interact. energy: -0.278
local terms energy: -52.668168
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -1.976
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: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -77.980439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.980439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.980439 (E_RNA)
where:
Base-Base interactions energy: -27.325
where: short stacking energy: -27.325
Base-Backbone interact. energy: 1.887
local terms energy: -52.542518
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -72.857604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.857604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.857604 (E_RNA)
where:
Base-Base interactions energy: -19.997
where: short stacking energy: -19.997
Base-Backbone interact. energy: -0.023
local terms energy: -52.838200
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -70.121668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.121668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.121668 (E_RNA)
where:
Base-Base interactions energy: -28.332
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.270
local terms energy: -41.519243
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -212.651288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.651288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.651288 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -65.279
Base-Backbone interact. energy: -0.001
local terms energy: -81.588692
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -198.925979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.925979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.925979 (E_RNA)
where:
Base-Base interactions energy: -126.106
where: short stacking energy: -50.367
Base-Backbone interact. energy: -0.011
local terms energy: -72.809089
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -198.063832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.063832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.063832 (E_RNA)
where:
Base-Base interactions energy: -117.990
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.436
local terms energy: -79.637587
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -193.893227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.893227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.893227 (E_RNA)
where:
Base-Base interactions energy: -125.606
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.002
local terms energy: -68.285691
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -161.887906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.887906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.887906 (E_RNA)
where:
Base-Base interactions energy: -92.826
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.302
local terms energy: -68.760321
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -92.874313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.874313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.874313 (E_RNA)
where:
Base-Base interactions energy: -37.688
where: short stacking energy: -26.381
Base-Backbone interact. energy: -0.163
local terms energy: -55.023345
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -84.739199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739199 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -21.327
Base-Backbone interact. energy: -0.164
local terms energy: -49.026426
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -75.590527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.590527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.590527 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.047
local terms energy: -46.408662
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: 0.323
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -73.117668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.117668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.117668 (E_RNA)
where:
Base-Base interactions energy: -29.853
where: short stacking energy: -18.513
Base-Backbone interact. energy: -0.391
local terms energy: -42.872888
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -2.804
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: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -66.182824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.182824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.182824 (E_RNA)
where:
Base-Base interactions energy: -22.577
where: short stacking energy: -20.280
Base-Backbone interact. energy: -0.136
local terms energy: -43.470110
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -0.058
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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -212.411846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.411846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.411846 (E_RNA)
where:
Base-Base interactions energy: -135.580
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.001
local terms energy: -76.830257
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -203.959533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.959533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.959533 (E_RNA)
where:
Base-Base interactions energy: -131.605
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.213
local terms energy: -72.141642
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.925
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: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -195.974715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.974715 (E_RNA)
where:
Base-Base interactions energy: -127.784
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.546
local terms energy: -67.645484
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -186.734732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.734732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.734732 (E_RNA)
where:
Base-Base interactions energy: -117.476
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.175
local terms energy: -69.083496
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -7.179
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: 78
Temperature: 1.100000
Total energy: -152.387223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.387223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.387223 (E_RNA)
where:
Base-Base interactions energy: -90.975
where: short stacking energy: -47.872
Base-Backbone interact. energy: -0.096
local terms energy: -61.315281
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.388
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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -90.586255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.586255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.586255 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.104
local terms energy: -57.614287
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -8.539
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: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -72.781862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.781862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.781862 (E_RNA)
where:
Base-Base interactions energy: -23.376
where: short stacking energy: -23.119
Base-Backbone interact. energy: -0.104
local terms energy: -49.302074
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -82.191384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.191384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.191384 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -26.141
Base-Backbone interact. energy: -0.213
local terms energy: -53.732737
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -1.020
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: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -80.156541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.156541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.156541 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -18.153
Base-Backbone interact. energy: -1.259
local terms energy: -44.263629
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -85.374033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.374033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.374033 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.374
local terms energy: -49.109286
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -207.866398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.866398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.866398 (E_RNA)
where:
Base-Base interactions energy: -132.405
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.046
local terms energy: -75.415738
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -212.692442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.692442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.692442 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.126
local terms energy: -75.189586
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -203.780271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.780271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.780271 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.314
local terms energy: -74.532847
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -201.878328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.878328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.878328 (E_RNA)
where:
Base-Base interactions energy: -129.870
where: short stacking energy: -56.987
Base-Backbone interact. energy: -1.031
local terms energy: -70.977211
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -143.492198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.492198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.492198 (E_RNA)
where:
Base-Base interactions energy: -80.130
where: short stacking energy: -42.734
Base-Backbone interact. energy: -0.106
local terms energy: -63.255712
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -99.777718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.777718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.777718 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.223
local terms energy: -54.019086
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -77.941360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.941360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.941360 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -22.524
Base-Backbone interact. energy: -0.190
local terms energy: -52.349802
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -77.912838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912838 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.188
local terms energy: -40.700647
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: 3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -71.266700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.266700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.266700 (E_RNA)
where:
Base-Base interactions energy: -25.080
where: short stacking energy: -19.435
Base-Backbone interact. energy: -0.002
local terms energy: -46.185298
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.818814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818814 (E_RNA)
where:
Base-Base interactions energy: -25.799
where: short stacking energy: -25.799
Base-Backbone interact. energy: -0.125
local terms energy: -50.895175
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -211.497418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.497418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.497418 (E_RNA)
where:
Base-Base interactions energy: -133.953
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.044
local terms energy: -77.500206
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -20.853
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -199.247670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.247670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247670 (E_RNA)
where:
Base-Base interactions energy: -127.999
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.029
local terms energy: -71.219292
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.055
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -203.894837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.894837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.894837 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.046
local terms energy: -73.154442
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -189.438815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.438815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438815 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -51.833
Base-Backbone interact. energy: -0.914
local terms energy: -68.451442
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -16.128
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: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -167.071853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.071853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.071853 (E_RNA)
where:
Base-Base interactions energy: -99.275
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.061
local terms energy: -67.735822
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -109.923432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.923432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.923432 (E_RNA)
where:
Base-Base interactions energy: -51.741
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.110
local terms energy: -58.073152
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -5.828
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: 80
Temperature: 1.200000
Total energy: -91.934097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934097 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -17.943
Base-Backbone interact. energy: -0.462
local terms energy: -43.497020
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -6.821
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: 3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -76.141636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.141636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.141636 (E_RNA)
where:
Base-Base interactions energy: -25.567
where: short stacking energy: -22.361
Base-Backbone interact. energy: -0.097
local terms energy: -50.477528
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -8.431
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -76.474258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474258 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -20.170
Base-Backbone interact. energy: -0.090
local terms energy: -43.720451
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -9.099
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -76.250089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.250089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.250089 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -20.912
Base-Backbone interact. energy: 0.250
local terms energy: -49.164523
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -5.048
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: 81
Temperature: 0.900000
Total energy: -210.882998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882998 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.279
local terms energy: -78.634163
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -12.171
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -206.859256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.859256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.859256 (E_RNA)
where:
Base-Base interactions energy: -128.984
where: short stacking energy: -67.414
Base-Backbone interact. energy: -0.012
local terms energy: -77.863254
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -189.359618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359618 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.014
local terms energy: -72.299788
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -183.346081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.346081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.346081 (E_RNA)
where:
Base-Base interactions energy: -109.450
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.067
local terms energy: -73.829032
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -184.790037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.790037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.790037 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.567
local terms energy: -63.041448
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -161.593297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.593297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.593297 (E_RNA)
where:
Base-Base interactions energy: -99.775
where: short stacking energy: -49.150
Base-Backbone interact. energy: 2.086
local terms energy: -63.903890
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -85.368186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368186 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -22.234
Base-Backbone interact. energy: -0.162
local terms energy: -50.617943
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -0.121
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: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -79.811241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.811241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.811241 (E_RNA)
where:
Base-Base interactions energy: -38.611
where: short stacking energy: -33.817
Base-Backbone interact. energy: 0.154
local terms energy: -41.354740
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -81.751781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751781 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -21.913
Base-Backbone interact. energy: -0.577
local terms energy: -54.946775
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -75.795046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.795046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.795046 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -18.180
Base-Backbone interact. energy: 0.978
local terms energy: -53.577033
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -4.263
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: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -220.293862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.293862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.293862 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -67.689
Base-Backbone interact. energy: -0.089
local terms energy: -83.223557
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -200.671467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.671467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.671467 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.300
local terms energy: -79.463022
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -13.178
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: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -193.248978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248978 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.106
local terms energy: -73.186472
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -180.485718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.485718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485718 (E_RNA)
where:
Base-Base interactions energy: -114.620
where: short stacking energy: -53.034
Base-Backbone interact. energy: -0.005
local terms energy: -65.860753
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -14.974
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: 82
Temperature: 1.100000
Total energy: -178.606989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.606989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606989 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -44.834
Base-Backbone interact. energy: -0.038
local terms energy: -61.235948
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -12.275
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -162.651446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.651446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.651446 (E_RNA)
where:
Base-Base interactions energy: -103.395
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.060
local terms energy: -59.196462
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -95.044170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044170 (E_RNA)
where:
Base-Base interactions energy: -42.139
where: short stacking energy: -36.514
Base-Backbone interact. energy: -0.136
local terms energy: -52.769666
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.570
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: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -81.818070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.818070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.818070 (E_RNA)
where:
Base-Base interactions energy: -37.864
where: short stacking energy: -29.524
Base-Backbone interact. energy: -0.594
local terms energy: -43.360677
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -1.888
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: 82
Temperature: 1.300000
Total energy: -82.292354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.292354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.292354 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.071
local terms energy: -49.480967
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -7.583
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: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -72.219688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.219688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.219688 (E_RNA)
where:
Base-Base interactions energy: -29.164
where: short stacking energy: -13.191
Base-Backbone interact. energy: -0.271
local terms energy: -42.784652
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -215.763577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.763577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.763577 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.569
local terms energy: -74.075903
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -201.857384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.857384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.857384 (E_RNA)
where:
Base-Base interactions energy: -130.141
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.148
local terms energy: -71.567955
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -19.876
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: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -202.139171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139171 (E_RNA)
where:
Base-Base interactions energy: -124.312
where: short stacking energy: -63.224
Base-Backbone interact. energy: 0.512
local terms energy: -78.339785
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -175.580377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.580377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.580377 (E_RNA)
where:
Base-Base interactions energy: -99.635
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.089
local terms energy: -75.856696
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -181.281822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.281822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.281822 (E_RNA)
where:
Base-Base interactions energy: -111.462
where: short stacking energy: -52.330
Base-Backbone interact. energy: -0.025
local terms energy: -69.794940
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -160.398099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.398099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.398099 (E_RNA)
where:
Base-Base interactions energy: -92.850
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.001
local terms energy: -67.547562
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -88.379389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379389 (E_RNA)
where:
Base-Base interactions energy: -40.498
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.213
local terms energy: -47.667482
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -7.888
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -76.250236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.250236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.250236 (E_RNA)
where:
Base-Base interactions energy: -32.869
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.013
local terms energy: -43.367738
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -1.105
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: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.391830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.391830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.391830 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -27.499
Base-Backbone interact. energy: 1.247
local terms energy: -46.059382
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -7.252
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -3.962
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: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -74.196837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.196837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.196837 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -24.769
Base-Backbone interact. energy: 5.170
local terms energy: -48.406588
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: 0.121
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: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -211.021226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.021226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.021226 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -70.961
Base-Backbone interact. energy: -0.006
local terms energy: -76.169310
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -199.889233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.889233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.889233 (E_RNA)
where:
Base-Base interactions energy: -119.757
where: short stacking energy: -67.419
Base-Backbone interact. energy: -0.079
local terms energy: -80.053127
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -208.667187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.667187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.667187 (E_RNA)
where:
Base-Base interactions energy: -132.437
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.099
local terms energy: -76.131525
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -171.841792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.841792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.841792 (E_RNA)
where:
Base-Base interactions energy: -110.763
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.125
local terms energy: -60.954088
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.354
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: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -194.428615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.428615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.428615 (E_RNA)
where:
Base-Base interactions energy: -120.478
where: short stacking energy: -55.898
Base-Backbone interact. energy: -0.001
local terms energy: -73.950406
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -8.295
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: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -154.102925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.102925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.102925 (E_RNA)
where:
Base-Base interactions energy: -87.255
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.040
local terms energy: -66.807745
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -84.257507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257507 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.212
local terms energy: -42.743996
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -99.159968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.159968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.159968 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.179
local terms energy: -57.002777
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.684775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.684775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.684775 (E_RNA)
where:
Base-Base interactions energy: -34.930
where: short stacking energy: -20.373
Base-Backbone interact. energy: -0.143
local terms energy: -49.611540
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -74.718678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.718678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.718678 (E_RNA)
where:
Base-Base interactions energy: -24.166
where: short stacking energy: -21.976
Base-Backbone interact. energy: -0.197
local terms energy: -50.355667
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -202.744155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.744155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.744155 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.046
local terms energy: -77.592241
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -201.547287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.547287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.547287 (E_RNA)
where:
Base-Base interactions energy: -120.519
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.104
local terms energy: -80.923634
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -13.853
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: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -184.431037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.431037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.431037 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.666
local terms energy: -68.103364
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -188.700868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.700868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.700868 (E_RNA)
where:
Base-Base interactions energy: -124.427
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.452
local terms energy: -63.821796
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -170.283997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.283997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.283997 (E_RNA)
where:
Base-Base interactions energy: -108.385
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.124
local terms energy: -61.775400
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -164.479076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.479076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.479076 (E_RNA)
where:
Base-Base interactions energy: -94.815
where: short stacking energy: -49.759
Base-Backbone interact. energy: -0.149
local terms energy: -69.515097
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.583
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: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -78.743069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.743069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.743069 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.421
local terms energy: -52.022620
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -10.248
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: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -72.600723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.600723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.600723 (E_RNA)
where:
Base-Base interactions energy: -26.455
where: short stacking energy: -23.250
Base-Backbone interact. energy: 0.649
local terms energy: -46.794834
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -90.187097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187097 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.023
local terms energy: -47.336593
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -71.811174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.811174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.811174 (E_RNA)
where:
Base-Base interactions energy: -26.002
where: short stacking energy: -19.460
Base-Backbone interact. energy: -0.040
local terms energy: -45.769312
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -8.444
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: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -211.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.766873 (E_RNA)
where:
Base-Base interactions energy: -137.001
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.062
local terms energy: -74.703892
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.045
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: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -198.093894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093894 (E_RNA)
where:
Base-Base interactions energy: -125.435
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.003
local terms energy: -72.655828
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -188.510158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510158 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.010
local terms energy: -68.474792
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -195.272892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.272892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.272892 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.016
local terms energy: -67.512764
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -14.252
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: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -157.016502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.016502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.016502 (E_RNA)
where:
Base-Base interactions energy: -98.322
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.765
local terms energy: -57.929243
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -168.616591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.616591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.616591 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -49.843
Base-Backbone interact. energy: 1.370
local terms energy: -62.223207
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -5.623
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: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -93.926777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.926777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.926777 (E_RNA)
where:
Base-Base interactions energy: -41.829
where: short stacking energy: -31.948
Base-Backbone interact. energy: 2.995
local terms energy: -55.092220
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -79.261541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.261541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.261541 (E_RNA)
where:
Base-Base interactions energy: -26.653
where: short stacking energy: -26.653
Base-Backbone interact. energy: -0.302
local terms energy: -52.306507
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.793
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: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -72.263757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.263757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.263757 (E_RNA)
where:
Base-Base interactions energy: -21.732
where: short stacking energy: -19.391
Base-Backbone interact. energy: 1.081
local terms energy: -51.612549
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -72.724249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.724249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.724249 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -20.952
Base-Backbone interact. energy: -1.202
local terms energy: -45.145347
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: 0.193
tors. eta vs tors. theta energy: -1.947
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: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -208.369425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.369425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.369425 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.100
local terms energy: -74.002657
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -205.296471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.296471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.296471 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.053
local terms energy: -74.849533
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -199.973371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.973371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.973371 (E_RNA)
where:
Base-Base interactions energy: -131.416
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.094
local terms energy: -68.463286
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -185.925261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.925261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.925261 (E_RNA)
where:
Base-Base interactions energy: -116.156
where: short stacking energy: -51.443
Base-Backbone interact. energy: 0.414
local terms energy: -70.183638
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -12.437
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: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -147.587971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.587971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.587971 (E_RNA)
where:
Base-Base interactions energy: -83.687
where: short stacking energy: -37.964
Base-Backbone interact. energy: -0.117
local terms energy: -63.784737
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -11.861
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -144.395762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.395762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.395762 (E_RNA)
where:
Base-Base interactions energy: -84.310
where: short stacking energy: -38.991
Base-Backbone interact. energy: -0.146
local terms energy: -59.939986
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -9.352
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -95.471344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.471344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.471344 (E_RNA)
where:
Base-Base interactions energy: -45.523
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.122
local terms energy: -49.826944
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -4.952
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: 87
Temperature: 1.250000
Total energy: -74.217225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.217225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.217225 (E_RNA)
where:
Base-Base interactions energy: -24.364
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.412
local terms energy: -49.441385
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -113.753325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.753325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.753325 (E_RNA)
where:
Base-Base interactions energy: -65.140
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.066
local terms energy: -48.547628
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -5.320
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: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -86.205669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.205669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.205669 (E_RNA)
where:
Base-Base interactions energy: -20.914
where: short stacking energy: -18.397
Base-Backbone interact. energy: -0.016
local terms energy: -65.276039
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -13.014
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: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -206.363329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.363329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.363329 (E_RNA)
where:
Base-Base interactions energy: -125.672
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.087
local terms energy: -80.604415
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -202.620518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.620518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.620518 (E_RNA)
where:
Base-Base interactions energy: -121.415
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.036
local terms energy: -81.168787
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -22.663
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: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -194.801247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.801247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.801247 (E_RNA)
where:
Base-Base interactions energy: -122.580
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.064
local terms energy: -72.157417
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -195.281780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.281780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.281780 (E_RNA)
where:
Base-Base interactions energy: -128.229
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.034
local terms energy: -67.018654
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -173.900666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.900666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.900666 (E_RNA)
where:
Base-Base interactions energy: -111.534
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.946
local terms energy: -61.420692
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -10.225
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: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -135.623842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.623842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.623842 (E_RNA)
where:
Base-Base interactions energy: -77.670
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.001
local terms energy: -57.952993
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -83.372459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372459 (E_RNA)
where:
Base-Base interactions energy: -30.095
where: short stacking energy: -29.167
Base-Backbone interact. energy: 1.847
local terms energy: -55.124390
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -5.391
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: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -78.028698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.028698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.028698 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.106
local terms energy: -51.892015
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -122.066094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.066094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.066094 (E_RNA)
where:
Base-Base interactions energy: -63.278
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.101
local terms energy: -58.687383
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -78.555144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.555144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.555144 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -20.303
Base-Backbone interact. energy: -0.166
local terms energy: -54.237318
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -0.548
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -202.785328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.785328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.785328 (E_RNA)
where:
Base-Base interactions energy: -124.480
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.001
local terms energy: -78.304356
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -203.217035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.217035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.217035 (E_RNA)
where:
Base-Base interactions energy: -131.842
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.043
local terms energy: -71.331615
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -196.712052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.712052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.712052 (E_RNA)
where:
Base-Base interactions energy: -128.306
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.003
local terms energy: -68.403035
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -182.377210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.377210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.377210 (E_RNA)
where:
Base-Base interactions energy: -113.774
where: short stacking energy: -52.441
Base-Backbone interact. energy: -0.087
local terms energy: -68.516704
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -191.122735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.122735 (E_RNA)
where:
Base-Base interactions energy: -123.058
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.084
local terms energy: -67.980822
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -16.682
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: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -89.305077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.305077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.305077 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -13.898
Base-Backbone interact. energy: -0.074
local terms energy: -50.463717
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -140.364448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.364448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.364448 (E_RNA)
where:
Base-Base interactions energy: -83.711
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.234
local terms energy: -56.419257
where:
bonds (distance) C4'-P energy: -5.423
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -9.932
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: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -82.079203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.079203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.079203 (E_RNA)
where:
Base-Base interactions energy: -31.098
where: short stacking energy: -14.497
Base-Backbone interact. energy: -0.072
local terms energy: -50.908432
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -82.201676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.201676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.201676 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.352
local terms energy: -52.082989
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -70.601506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.601506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.601506 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -17.962
Base-Backbone interact. energy: 1.071
local terms energy: -46.989915
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -3.103
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: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -207.574785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.574785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574785 (E_RNA)
where:
Base-Base interactions energy: -132.837
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.008
local terms energy: -74.729308
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -205.812158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.812158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.812158 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -72.116
Base-Backbone interact. energy: 0.743
local terms energy: -80.022568
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -18.278
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -192.769385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.769385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.769385 (E_RNA)
where:
Base-Base interactions energy: -123.087
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.026
local terms energy: -69.656364
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -163.587918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.587918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.587918 (E_RNA)
where:
Base-Base interactions energy: -97.794
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.215
local terms energy: -65.579572
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -15.176
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -192.068070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.068070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.068070 (E_RNA)
where:
Base-Base interactions energy: -116.159
where: short stacking energy: -55.491
Base-Backbone interact. energy: -0.560
local terms energy: -75.348684
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -18.112
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: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -81.190911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.190911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.190911 (E_RNA)
where:
Base-Base interactions energy: -28.736
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.239
local terms energy: -52.215351
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -99.156886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.156886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.156886 (E_RNA)
where:
Base-Base interactions energy: -40.492
where: short stacking energy: -39.604
Base-Backbone interact. energy: -0.001
local terms energy: -58.664214
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -9.908
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -111.005354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.005354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.005354 (E_RNA)
where:
Base-Base interactions energy: -57.390
where: short stacking energy: -25.397
Base-Backbone interact. energy: -1.203
local terms energy: -52.412213
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -75.593930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.593930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.593930 (E_RNA)
where:
Base-Base interactions energy: -26.458
where: short stacking energy: -26.517
Base-Backbone interact. energy: -0.198
local terms energy: -48.938024
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -0.563
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: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -71.199068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.199068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.199068 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -23.262
Base-Backbone interact. energy: -0.028
local terms energy: -45.910522
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -209.435697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.435697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.435697 (E_RNA)
where:
Base-Base interactions energy: -130.799
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.124
local terms energy: -78.513253
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -204.528295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.528295 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.025
local terms energy: -76.760202
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -20.125
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: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -196.181881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.181881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.181881 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.419
local terms energy: -69.630418
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -188.357737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.357737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.357737 (E_RNA)
where:
Base-Base interactions energy: -117.862
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.018
local terms energy: -70.477325
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -158.758162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.758162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.758162 (E_RNA)
where:
Base-Base interactions energy: -97.563
where: short stacking energy: -46.416
Base-Backbone interact. energy: -0.094
local terms energy: -61.101726
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -13.715
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -118.923352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.923352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.923352 (E_RNA)
where:
Base-Base interactions energy: -62.996
where: short stacking energy: -27.761
Base-Backbone interact. energy: -0.855
local terms energy: -55.073074
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -78.570601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.570601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.570601 (E_RNA)
where:
Base-Base interactions energy: -30.089
where: short stacking energy: -17.582
Base-Backbone interact. energy: -0.362
local terms energy: -48.119305
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: 3.245
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -77.403573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403573 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -24.429
Base-Backbone interact. energy: -0.177
local terms energy: -52.798454
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -84.841574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841574 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.067
local terms energy: -49.967225
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -76.619701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619701 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -18.918
Base-Backbone interact. energy: -0.249
local terms energy: -46.130216
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -210.048093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.048093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.048093 (E_RNA)
where:
Base-Base interactions energy: -134.080
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.008
local terms energy: -75.960965
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.920
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -196.723008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.723008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.723008 (E_RNA)
where:
Base-Base interactions energy: -123.670
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.115
local terms energy: -72.938306
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -198.736030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.736030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.736030 (E_RNA)
where:
Base-Base interactions energy: -128.845
where: short stacking energy: -61.683
Base-Backbone interact. energy: -0.193
local terms energy: -69.697854
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -196.334710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.334710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.334710 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -67.126
Base-Backbone interact. energy: 0.445
local terms energy: -80.127096
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -162.036843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.036843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.036843 (E_RNA)
where:
Base-Base interactions energy: -94.733
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.101
local terms energy: -67.202749
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.901
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: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -132.562966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562966 (E_RNA)
where:
Base-Base interactions energy: -74.343
where: short stacking energy: -25.447
Base-Backbone interact. energy: -1.613
local terms energy: -56.607046
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -86.490206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490206 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -29.210
Base-Backbone interact. energy: 0.098
local terms energy: -52.536412
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.019497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019497 (E_RNA)
where:
Base-Base interactions energy: -28.158
where: short stacking energy: -28.158
Base-Backbone interact. energy: -1.371
local terms energy: -57.491098
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.957
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: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -81.148580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.148580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.148580 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -29.201
Base-Backbone interact. energy: -0.096
local terms energy: -46.138581
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -8.034
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: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -70.035149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.035149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.035149 (E_RNA)
where:
Base-Base interactions energy: -18.426
where: short stacking energy: -16.333
Base-Backbone interact. energy: -0.089
local terms energy: -51.520293
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -210.953824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.953824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.953824 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.159
local terms energy: -78.318591
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -206.850150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.850150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.850150 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.002
local terms energy: -69.933676
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -20.591
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: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -202.901886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.901886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.901886 (E_RNA)
where:
Base-Base interactions energy: -131.823
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.101
local terms energy: -70.978115
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -196.823597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.823597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.823597 (E_RNA)
where:
Base-Base interactions energy: -119.868
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.200
local terms energy: -76.755290
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -17.814
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: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -141.913837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.913837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.913837 (E_RNA)
where:
Base-Base interactions energy: -88.642
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.653
local terms energy: -52.619553
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -5.798
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -140.286524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.286524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.286524 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.115
local terms energy: -50.761004
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -76.417683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.417683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.417683 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -20.088
Base-Backbone interact. energy: -0.075
local terms energy: -51.307287
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -98.127519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.127519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.127519 (E_RNA)
where:
Base-Base interactions energy: -39.298
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.172
local terms energy: -58.657975
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -84.344820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.344820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.344820 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -25.923
Base-Backbone interact. energy: -0.038
local terms energy: -49.470738
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -3.377
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: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.651595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.651595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.651595 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.258
local terms energy: -47.339697
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -3.006
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: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -203.840131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.840131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.840131 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -67.435
Base-Backbone interact. energy: 0.123
local terms energy: -77.142079
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -20.416
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: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -206.971169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971169 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.017
local terms energy: -76.265018
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.445
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -198.590009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.590009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.590009 (E_RNA)
where:
Base-Base interactions energy: -128.096
where: short stacking energy: -63.696
Base-Backbone interact. energy: -0.012
local terms energy: -70.481992
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -17.942
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: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -206.638506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.638506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.638506 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.014
local terms energy: -75.631432
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -171.737715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.737715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.737715 (E_RNA)
where:
Base-Base interactions energy: -107.226
where: short stacking energy: -46.486
Base-Backbone interact. energy: 1.798
local terms energy: -66.309815
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -163.045779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.045779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.045779 (E_RNA)
where:
Base-Base interactions energy: -96.966
where: short stacking energy: -51.537
Base-Backbone interact. energy: -0.087
local terms energy: -65.992892
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -14.512
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: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -92.332132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332132 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -29.907
Base-Backbone interact. energy: -0.022
local terms energy: -52.694465
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -10.863
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: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -83.904996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.904996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.904996 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -20.532
Base-Backbone interact. energy: -0.517
local terms energy: -50.807262
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: 0.801
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: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -71.659176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.659176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.659176 (E_RNA)
where:
Base-Base interactions energy: -22.617
where: short stacking energy: -16.948
Base-Backbone interact. energy: -0.028
local terms energy: -49.014500
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -1.738
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: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -70.306747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.306747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.306747 (E_RNA)
where:
Base-Base interactions energy: -23.768
where: short stacking energy: -25.568
Base-Backbone interact. energy: 0.506
local terms energy: -47.044650
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.251
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: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -214.054757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.054757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054757 (E_RNA)
where:
Base-Base interactions energy: -138.649
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.011
local terms energy: -75.395268
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -22.433
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -204.153857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.153857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.153857 (E_RNA)
where:
Base-Base interactions energy: -133.400
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.889
local terms energy: -69.864222
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -19.158
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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -200.083907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.083907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.083907 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.013
local terms energy: -67.957936
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -193.294946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294946 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.031
local terms energy: -71.057258
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -164.701297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701297 (E_RNA)
where:
Base-Base interactions energy: -101.019
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.246
local terms energy: -63.435791
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -156.991428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.991428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.991428 (E_RNA)
where:
Base-Base interactions energy: -95.560
where: short stacking energy: -40.004
Base-Backbone interact. energy: -0.638
local terms energy: -60.793666
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -89.975395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.975395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.975395 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -15.402
Base-Backbone interact. energy: -1.211
local terms energy: -57.243258
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -3.972
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: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -82.318250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.318250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.318250 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -15.085
Base-Backbone interact. energy: -0.193
local terms energy: -53.338113
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -10.644
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -70.750737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.750737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.750737 (E_RNA)
where:
Base-Base interactions energy: -20.761
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.790
local terms energy: -49.199819
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -5.802
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: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -73.437508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.437508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.437508 (E_RNA)
where:
Base-Base interactions energy: -30.154
where: short stacking energy: -13.137
Base-Backbone interact. energy: -0.248
local terms energy: -43.035662
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -221.517607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.517607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.517607 (E_RNA)
where:
Base-Base interactions energy: -140.737
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.005
local terms energy: -80.775437
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -199.775847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.775847 (E_RNA)
where:
Base-Base interactions energy: -131.171
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.145
local terms energy: -68.460310
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -197.264855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.264855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.264855 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -52.629
Base-Backbone interact. energy: -1.403
local terms energy: -74.642770
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -197.717749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.717749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.717749 (E_RNA)
where:
Base-Base interactions energy: -127.472
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.086
local terms energy: -70.159594
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -19.963
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: 96
Temperature: 1.100000
Total energy: -152.514446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.514446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.514446 (E_RNA)
where:
Base-Base interactions energy: -84.317
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.579
local terms energy: -67.618239
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -13.387
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: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -150.214657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.214657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.214657 (E_RNA)
where:
Base-Base interactions energy: -96.353
where: short stacking energy: -45.377
Base-Backbone interact. energy: -0.295
local terms energy: -53.566827
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -10.807
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: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -95.702971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.702971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.702971 (E_RNA)
where:
Base-Base interactions energy: -37.350
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.431
local terms energy: -57.922545
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -4.325
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -91.265900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265900 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -27.970
Base-Backbone interact. energy: 0.715
local terms energy: -50.312323
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -5.739
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: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -80.297720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.297720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.297720 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.485
local terms energy: -53.475142
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -68.804593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.804593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.804593 (E_RNA)
where:
Base-Base interactions energy: -24.632
where: short stacking energy: -22.320
Base-Backbone interact. energy: -0.434
local terms energy: -43.739117
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -209.415892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.415892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.415892 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -68.523
Base-Backbone interact. energy: 0.369
local terms energy: -75.357293
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -206.869476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.869476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.869476 (E_RNA)
where:
Base-Base interactions energy: -122.905
where: short stacking energy: -53.864
Base-Backbone interact. energy: -0.021
local terms energy: -83.943086
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -186.811080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.811080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.811080 (E_RNA)
where:
Base-Base interactions energy: -119.041
where: short stacking energy: -59.352
Base-Backbone interact. energy: -1.052
local terms energy: -66.717343
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -7.561
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: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -206.956102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.956102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.956102 (E_RNA)
where:
Base-Base interactions energy: -137.224
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.687
local terms energy: -69.044889
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -175.279847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.279847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.279847 (E_RNA)
where:
Base-Base interactions energy: -109.631
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.198
local terms energy: -65.450711
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -81.223950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.223950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.223950 (E_RNA)
where:
Base-Base interactions energy: -31.693
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.131
local terms energy: -49.400755
where:
bonds (distance) C4'-P energy: -7.165
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -3.751
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -130.426689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.426689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.426689 (E_RNA)
where:
Base-Base interactions energy: -77.843
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.648
local terms energy: -51.936159
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.490923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.490923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.490923 (E_RNA)
where:
Base-Base interactions energy: -28.078
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.730
local terms energy: -48.683128
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: 1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -85.518419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518419 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -17.617
Base-Backbone interact. energy: 0.341
local terms energy: -47.030576
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -76.880296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.880296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.880296 (E_RNA)
where:
Base-Base interactions energy: -18.854
where: short stacking energy: -18.854
Base-Backbone interact. energy: -0.170
local terms energy: -57.856429
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.351
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: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -209.759331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.759331 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.040
local terms energy: -76.837411
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -209.374903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.374903 (E_RNA)
where:
Base-Base interactions energy: -132.659
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.472
local terms energy: -76.243833
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -19.850
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: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -189.167274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.167274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.167274 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.148
local terms energy: -67.966614
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -167.040965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.040965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.040965 (E_RNA)
where:
Base-Base interactions energy: -103.270
where: short stacking energy: -45.449
Base-Backbone interact. energy: -0.297
local terms energy: -63.473558
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.493
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -161.482246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.482246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.482246 (E_RNA)
where:
Base-Base interactions energy: -106.413
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.103
local terms energy: -54.966183
where:
bonds (distance) C4'-P energy: -2.994
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -10.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -86.060830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.060830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.060830 (E_RNA)
where:
Base-Base interactions energy: -22.653
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.110
local terms energy: -63.298484
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -4.423
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: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -148.194214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.194214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.194214 (E_RNA)
where:
Base-Base interactions energy: -83.448
where: short stacking energy: -46.664
Base-Backbone interact. energy: -0.009
local terms energy: -64.736700
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -16.530
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: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -86.263136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.263136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.263136 (E_RNA)
where:
Base-Base interactions energy: -30.331
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.143
local terms energy: -55.789316
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -10.541
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: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -75.113385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.113385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.113385 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -18.405
Base-Backbone interact. energy: -1.369
local terms energy: -49.013923
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -77.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.983362 (E_RNA)
where:
Base-Base interactions energy: -22.551
where: short stacking energy: -21.751
Base-Backbone interact. energy: -0.062
local terms energy: -55.370529
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -215.212915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.212915 (E_RNA)
where:
Base-Base interactions energy: -138.015
where: short stacking energy: -64.182
Base-Backbone interact. energy: -0.005
local terms energy: -77.193359
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -193.826331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.826331 (E_RNA)
where:
Base-Base interactions energy: -121.308
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.157
local terms energy: -72.361757
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -11.182
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -206.249304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.249304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249304 (E_RNA)
where:
Base-Base interactions energy: -122.580
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.016
local terms energy: -83.653753
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -168.055866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.055866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.055866 (E_RNA)
where:
Base-Base interactions energy: -100.678
where: short stacking energy: -56.409
Base-Backbone interact. energy: 0.004
local terms energy: -67.381244
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -11.838
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -121.495060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.495060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.495060 (E_RNA)
where:
Base-Base interactions energy: -68.581
where: short stacking energy: -32.944
Base-Backbone interact. energy: -1.359
local terms energy: -51.554483
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -8.837
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: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -156.221698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.221698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.221698 (E_RNA)
where:
Base-Base interactions energy: -92.377
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.096
local terms energy: -63.749013
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -92.498452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498452 (E_RNA)
where:
Base-Base interactions energy: -48.797
where: short stacking energy: -22.154
Base-Backbone interact. energy: 1.260
local terms energy: -44.961880
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -3.634
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -86.319352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319352 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -15.884
Base-Backbone interact. energy: -0.292
local terms energy: -46.051324
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -80.716490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.716490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.716490 (E_RNA)
where:
Base-Base interactions energy: -23.122
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.118
local terms energy: -57.476153
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.308
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: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.459040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.459040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.459040 (E_RNA)
where:
Base-Base interactions energy: -25.047
where: short stacking energy: -24.617
Base-Backbone interact. energy: -0.146
local terms energy: -51.266668
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -5.353
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -205.958098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.958098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.958098 (E_RNA)
where:
Base-Base interactions energy: -128.765
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.357
local terms energy: -76.835656
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -13.085
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: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -206.250496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.250496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.250496 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.049
local terms energy: -81.593260
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -22.320
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: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -203.302520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302520 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.070
local terms energy: -79.890876
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -191.837336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.837336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.837336 (E_RNA)
where:
Base-Base interactions energy: -123.395
where: short stacking energy: -57.238
Base-Backbone interact. energy: -0.111
local terms energy: -68.332331
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -16.541
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: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -164.063791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.063791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.063791 (E_RNA)
where:
Base-Base interactions energy: -105.569
where: short stacking energy: -41.605
Base-Backbone interact. energy: -0.380
local terms energy: -58.114846
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -145.091414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.091414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.091414 (E_RNA)
where:
Base-Base interactions energy: -82.915
where: short stacking energy: -41.737
Base-Backbone interact. energy: -0.067
local terms energy: -62.109473
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -8.296
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: 100
Temperature: 1.200000
Total energy: -79.532450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.532450 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -21.842
Base-Backbone interact. energy: -0.167
local terms energy: -48.682244
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -0.005
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -89.184930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.184930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.184930 (E_RNA)
where:
Base-Base interactions energy: -43.755
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.274
local terms energy: -45.156268
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -77.524095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.524095 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.279
local terms energy: -46.795896
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -2.643
tors. eta vs tors. theta energy: -7.191
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: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -77.424897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.424897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.424897 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.108
local terms energy: -54.366993
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -206.479428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.479428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479428 (E_RNA)
where:
Base-Base interactions energy: -139.591
where: short stacking energy: -59.913
Base-Backbone interact. energy: 2.309
local terms energy: -69.197859
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -17.164
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: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -197.587387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587387 (E_RNA)
where:
Base-Base interactions energy: -124.641
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.085
local terms energy: -72.861435
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.591
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: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -197.636476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.636476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.636476 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.029
local terms energy: -65.866125
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.621
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: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -201.568438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.568438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.568438 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.002
local terms energy: -70.856928
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -182.059787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059787 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -50.034
Base-Backbone interact. energy: -0.103
local terms energy: -60.655605
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: -14.604
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -152.626740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.626740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.626740 (E_RNA)
where:
Base-Base interactions energy: -89.210
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.313
local terms energy: -63.103659
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -13.811
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: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -91.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.461130 (E_RNA)
where:
Base-Base interactions energy: -41.894
where: short stacking energy: -19.905
Base-Backbone interact. energy: 0.010
local terms energy: -49.576947
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: 2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -79.948869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.948869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.948869 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.184
local terms energy: -51.433215
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -71.621701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.621701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.621701 (E_RNA)
where:
Base-Base interactions energy: -28.465
where: short stacking energy: -18.265
Base-Backbone interact. energy: 0.073
local terms energy: -43.229749
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: 4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -77.871673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.871673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.871673 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -25.843
Base-Backbone interact. energy: -1.087
local terms energy: -50.941940
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -13.431
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: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -210.140936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.140936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.140936 (E_RNA)
where:
Base-Base interactions energy: -132.002
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.027
local terms energy: -78.111216
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -198.959724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.959724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.959724 (E_RNA)
where:
Base-Base interactions energy: -126.699
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.056
local terms energy: -72.204149
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -16.550
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: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -190.291139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.291139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.291139 (E_RNA)
where:
Base-Base interactions energy: -116.248
where: short stacking energy: -55.655
Base-Backbone interact. energy: -0.305
local terms energy: -73.738154
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -190.710169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.710169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.710169 (E_RNA)
where:
Base-Base interactions energy: -123.981
where: short stacking energy: -60.350
Base-Backbone interact. energy: 0.294
local terms energy: -67.022411
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -18.487
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: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -183.842176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.842176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.842176 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.460
local terms energy: -62.795074
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -156.299186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.299186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.299186 (E_RNA)
where:
Base-Base interactions energy: -96.310
where: short stacking energy: -42.025
Base-Backbone interact. energy: -0.129
local terms energy: -59.859903
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -100.447455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.447455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.447455 (E_RNA)
where:
Base-Base interactions energy: -42.538
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.985
local terms energy: -56.924766
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -89.977247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.977247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.977247 (E_RNA)
where:
Base-Base interactions energy: -39.367
where: short stacking energy: -26.116
Base-Backbone interact. energy: -0.012
local terms energy: -50.598159
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -74.516907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.516907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.516907 (E_RNA)
where:
Base-Base interactions energy: -34.145
where: short stacking energy: -18.521
Base-Backbone interact. energy: 0.027
local terms energy: -40.399115
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: 3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -67.855462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.855462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.855462 (E_RNA)
where:
Base-Base interactions energy: -15.999
where: short stacking energy: -12.818
Base-Backbone interact. energy: 0.257
local terms energy: -52.112684
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -0.403
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: 103
Temperature: 0.900000
Total energy: -210.452415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.452415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.452415 (E_RNA)
where:
Base-Base interactions energy: -131.630
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.006
local terms energy: -78.816277
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -205.100766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.100766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.100766 (E_RNA)
where:
Base-Base interactions energy: -128.274
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.006
local terms energy: -76.820921
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -6.693
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -198.334752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.334752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.334752 (E_RNA)
where:
Base-Base interactions energy: -124.129
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.029
local terms energy: -74.176634
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -186.091789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.091789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.091789 (E_RNA)
where:
Base-Base interactions energy: -123.005
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.390
local terms energy: -62.696762
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -182.311234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.311234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.311234 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -54.658
Base-Backbone interact. energy: 0.139
local terms energy: -67.899460
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -99.145340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.145340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.145340 (E_RNA)
where:
Base-Base interactions energy: -37.090
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.122
local terms energy: -61.932616
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -136.165468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.165468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.165468 (E_RNA)
where:
Base-Base interactions energy: -75.899
where: short stacking energy: -34.385
Base-Backbone interact. energy: -0.285
local terms energy: -59.981775
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -91.232403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.232403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.232403 (E_RNA)
where:
Base-Base interactions energy: -35.252
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.110
local terms energy: -55.870370
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -10.005
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -85.868430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.868430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.868430 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -24.121
Base-Backbone interact. energy: -0.033
local terms energy: -51.750997
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.004
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -72.511793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.511793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.511793 (E_RNA)
where:
Base-Base interactions energy: -28.051
where: short stacking energy: -22.398
Base-Backbone interact. energy: -0.387
local terms energy: -44.072872
where:
bonds (distance) C4'-P energy: -5.646
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -10.013
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: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -220.524905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.524905 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.018
local terms energy: -77.258424
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -197.894024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.894024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.894024 (E_RNA)
where:
Base-Base interactions energy: -120.865
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.089
local terms energy: -76.940279
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -191.632753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.632753 (E_RNA)
where:
Base-Base interactions energy: -119.175
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.009
local terms energy: -72.449055
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -13.962
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: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -198.023009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.023009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.023009 (E_RNA)
where:
Base-Base interactions energy: -129.190
where: short stacking energy: -51.967
Base-Backbone interact. energy: -0.190
local terms energy: -68.642708
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -186.466727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.466727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.466727 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -48.467
Base-Backbone interact. energy: 1.080
local terms energy: -69.641687
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.966
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: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -98.845288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.845288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.845288 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -37.490
Base-Backbone interact. energy: -0.125
local terms energy: -58.294149
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -7.988
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: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -124.977034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.977034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.977034 (E_RNA)
where:
Base-Base interactions energy: -69.069
where: short stacking energy: -31.805
Base-Backbone interact. energy: -1.675
local terms energy: -54.233201
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -75.163555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.163555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.163555 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -17.045
Base-Backbone interact. energy: -0.200
local terms energy: -50.534563
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -84.338548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.338548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.338548 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -29.022
Base-Backbone interact. energy: 1.314
local terms energy: -53.735790
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -67.909231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.909231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.909231 (E_RNA)
where:
Base-Base interactions energy: -20.756
where: short stacking energy: -18.336
Base-Backbone interact. energy: -0.034
local terms energy: -47.118880
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -208.753808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.753808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.753808 (E_RNA)
where:
Base-Base interactions energy: -129.715
where: short stacking energy: -65.759
Base-Backbone interact. energy: -0.266
local terms energy: -78.772544
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -210.706659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.706659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.706659 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.609
local terms energy: -76.657910
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.956
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: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -185.213632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213632 (E_RNA)
where:
Base-Base interactions energy: -114.088
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.220
local terms energy: -70.905492
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -14.694
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: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -200.533552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.533552 (E_RNA)
where:
Base-Base interactions energy: -135.412
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.294
local terms energy: -64.826858
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -8.885
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -189.563856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.563856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.563856 (E_RNA)
where:
Base-Base interactions energy: -117.848
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.308
local terms energy: -71.408040
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -16.168
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: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -126.190415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.190415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.190415 (E_RNA)
where:
Base-Base interactions energy: -69.235
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.516
local terms energy: -56.439154
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.289
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: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -86.763339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.763339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.763339 (E_RNA)
where:
Base-Base interactions energy: -33.384
where: short stacking energy: -33.384
Base-Backbone interact. energy: 0.393
local terms energy: -53.773036
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -85.684482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.684482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.684482 (E_RNA)
where:
Base-Base interactions energy: -31.125
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.084
local terms energy: -54.475467
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.531
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: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -77.618694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.618694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.618694 (E_RNA)
where:
Base-Base interactions energy: -25.793
where: short stacking energy: -21.236
Base-Backbone interact. energy: -0.088
local terms energy: -51.738150
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -75.352217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.352217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.352217 (E_RNA)
where:
Base-Base interactions energy: -29.661
where: short stacking energy: -17.219
Base-Backbone interact. energy: -0.100
local terms energy: -45.591701
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.167
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: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -203.438502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.438502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.438502 (E_RNA)
where:
Base-Base interactions energy: -127.198
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.124
local terms energy: -76.116861
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.841
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: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -214.203356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203356 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.300
local terms energy: -78.500665
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -22.401
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -205.007176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.007176 (E_RNA)
where:
Base-Base interactions energy: -137.572
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.130
local terms energy: -67.305773
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -8.427
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: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -178.518735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.518735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.518735 (E_RNA)
where:
Base-Base interactions energy: -114.947
where: short stacking energy: -50.178
Base-Backbone interact. energy: -0.086
local terms energy: -63.485617
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.472
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: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -189.043865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.043865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.043865 (E_RNA)
where:
Base-Base interactions energy: -124.100
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.002
local terms energy: -64.942245
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -142.830640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.830640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.830640 (E_RNA)
where:
Base-Base interactions energy: -82.571
where: short stacking energy: -41.324
Base-Backbone interact. energy: -0.487
local terms energy: -59.771959
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -10.852
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -94.981055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.981055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.981055 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.005
local terms energy: -59.702249
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -14.170
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -82.092330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.092330 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -30.145
Base-Backbone interact. energy: 1.005
local terms energy: -51.121470
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -4.204
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: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -83.772301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.772301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.772301 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.123
local terms energy: -42.083297
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -76.242731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.242731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.242731 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -15.570
Base-Backbone interact. energy: -0.318
local terms energy: -46.140311
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -210.332003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332003 (E_RNA)
where:
Base-Base interactions energy: -134.597
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.002
local terms energy: -75.733228
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -14.532
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: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -220.922901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.922901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.922901 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -53.267
Base-Backbone interact. energy: 0.006
local terms energy: -74.760879
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -208.004729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.004729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.004729 (E_RNA)
where:
Base-Base interactions energy: -128.725
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.634
local terms energy: -78.645821
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -190.145644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.145644 (E_RNA)
where:
Base-Base interactions energy: -129.825
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.012
local terms energy: -60.308215
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -176.136734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.136734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.136734 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.292
local terms energy: -70.859845
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -98.945654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945654 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.092
local terms energy: -63.300467
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -91.426964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426964 (E_RNA)
where:
Base-Base interactions energy: -43.634
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.210
local terms energy: -47.583033
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.284806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.284806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.284806 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -22.221
Base-Backbone interact. energy: -0.994
local terms energy: -48.409152
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -67.484170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.484170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.484170 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.007
local terms energy: -37.891227
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -2.786
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: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -67.407975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.407975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.407975 (E_RNA)
where:
Base-Base interactions energy: -20.095
where: short stacking energy: -20.095
Base-Backbone interact. energy: -0.938
local terms energy: -46.374355
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: 1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -210.085179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.085179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085179 (E_RNA)
where:
Base-Base interactions energy: -140.014
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.115
local terms energy: -69.956997
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -203.501568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.501568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.501568 (E_RNA)
where:
Base-Base interactions energy: -135.068
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.766
local terms energy: -67.667793
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -196.214006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.214006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.214006 (E_RNA)
where:
Base-Base interactions energy: -127.713
where: short stacking energy: -52.004
Base-Backbone interact. energy: 0.529
local terms energy: -69.029717
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -185.895193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.895193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.895193 (E_RNA)
where:
Base-Base interactions energy: -111.125
where: short stacking energy: -44.834
Base-Backbone interact. energy: -0.565
local terms energy: -74.205719
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -175.513203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.513203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.513203 (E_RNA)
where:
Base-Base interactions energy: -106.101
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.129
local terms energy: -69.283461
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -86.556937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.556937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.556937 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.054
local terms energy: -58.558146
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -96.588566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.588566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.588566 (E_RNA)
where:
Base-Base interactions energy: -41.543
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.057
local terms energy: -54.988644
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -78.429141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.429141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.429141 (E_RNA)
where:
Base-Base interactions energy: -26.838
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.123
local terms energy: -51.469069
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.793583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.793583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.793583 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -24.516
Base-Backbone interact. energy: 0.048
local terms energy: -49.113469
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -75.255729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.255729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.255729 (E_RNA)
where:
Base-Base interactions energy: -22.230
where: short stacking energy: -15.489
Base-Backbone interact. energy: -0.071
local terms energy: -52.954568
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -2.889
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: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -221.335429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.335429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.335429 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.189
local terms energy: -75.213403
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -209.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.565988 (E_RNA)
where:
Base-Base interactions energy: -126.038
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.027
local terms energy: -83.500237
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -193.595567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.595567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.595567 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.227
local terms energy: -73.701619
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -190.872205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872205 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.180
local terms energy: -77.761659
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -158.747839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747839 (E_RNA)
where:
Base-Base interactions energy: -95.815
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.180
local terms energy: -62.752567
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -94.614255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.614255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.614255 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.372
local terms energy: -60.598752
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -84.037931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.037931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.037931 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -24.571
Base-Backbone interact. energy: 1.746
local terms energy: -45.974095
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -91.626044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.626044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.626044 (E_RNA)
where:
Base-Base interactions energy: -42.539
where: short stacking energy: -36.431
Base-Backbone interact. energy: 0.304
local terms energy: -49.390993
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -80.261198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261198 (E_RNA)
where:
Base-Base interactions energy: -18.938
where: short stacking energy: -18.671
Base-Backbone interact. energy: -0.096
local terms energy: -61.226941
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -72.471058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.471058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.471058 (E_RNA)
where:
Base-Base interactions energy: -23.435
where: short stacking energy: -21.956
Base-Backbone interact. energy: -0.288
local terms energy: -48.748463
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -227.799106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.799106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799106 (E_RNA)
where:
Base-Base interactions energy: -150.890
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.257
local terms energy: -76.651588
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -19.517
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -196.054800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.054800 (E_RNA)
where:
Base-Base interactions energy: -121.236
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.001
local terms energy: -74.817905
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -13.629
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: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -181.354397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.354397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.354397 (E_RNA)
where:
Base-Base interactions energy: -115.469
where: short stacking energy: -53.542
Base-Backbone interact. energy: -0.015
local terms energy: -65.870000
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -184.987901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987901 (E_RNA)
where:
Base-Base interactions energy: -121.533
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.191
local terms energy: -63.263854
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -165.960404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.960404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.960404 (E_RNA)
where:
Base-Base interactions energy: -104.638
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.060
local terms energy: -61.262654
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -5.586
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: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -105.615695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.615695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.615695 (E_RNA)
where:
Base-Base interactions energy: -50.512
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.136
local terms energy: -54.967249
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -131.324734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.324734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.324734 (E_RNA)
where:
Base-Base interactions energy: -76.514
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.151
local terms energy: -54.659018
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -4.805
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -80.473901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.473901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.473901 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -33.337
Base-Backbone interact. energy: -0.081
local terms energy: -42.405993
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -1.154
tors. eta vs tors. theta energy: -7.818
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: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -79.672832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672832 (E_RNA)
where:
Base-Base interactions energy: -26.279
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.925
local terms energy: -52.468313
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.314
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: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -81.593916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.593916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.593916 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -30.078
Base-Backbone interact. energy: 0.796
local terms energy: -52.311129
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -228.595810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595810 (E_RNA)
where:
Base-Base interactions energy: -157.419
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.383
local terms energy: -70.793320
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -202.092901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.092901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.092901 (E_RNA)
where:
Base-Base interactions energy: -126.008
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.094
local terms energy: -75.991501
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -194.382756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.382756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.382756 (E_RNA)
where:
Base-Base interactions energy: -120.025
where: short stacking energy: -64.420
Base-Backbone interact. energy: -0.337
local terms energy: -74.021303
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -171.799166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799166 (E_RNA)
where:
Base-Base interactions energy: -95.571
where: short stacking energy: -47.726
Base-Backbone interact. energy: -0.636
local terms energy: -75.592273
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -188.471770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.471770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.471770 (E_RNA)
where:
Base-Base interactions energy: -120.613
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.109
local terms energy: -67.749481
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.147
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: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -138.238012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.238012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.238012 (E_RNA)
where:
Base-Base interactions energy: -81.751
where: short stacking energy: -35.205
Base-Backbone interact. energy: -0.405
local terms energy: -56.082179
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -81.535569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.535569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.535569 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -14.811
Base-Backbone interact. energy: -0.402
local terms energy: -53.962912
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -86.703763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.703763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.703763 (E_RNA)
where:
Base-Base interactions energy: -26.146
where: short stacking energy: -26.146
Base-Backbone interact. energy: -1.156
local terms energy: -59.401555
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -75.795489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.795489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.795489 (E_RNA)
where:
Base-Base interactions energy: -23.004
where: short stacking energy: -22.079
Base-Backbone interact. energy: -1.234
local terms energy: -51.558164
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -7.319
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: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -70.955963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.955963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.955963 (E_RNA)
where:
Base-Base interactions energy: -22.011
where: short stacking energy: -14.489
Base-Backbone interact. energy: -0.155
local terms energy: -48.789399
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -202.860271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.860271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.860271 (E_RNA)
where:
Base-Base interactions energy: -122.496
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.288
local terms energy: -80.075333
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -215.346127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346127 (E_RNA)
where:
Base-Base interactions energy: -149.129
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.138
local terms energy: -66.079259
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -14.791
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -195.447409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.447409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.447409 (E_RNA)
where:
Base-Base interactions energy: -120.707
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.224
local terms energy: -74.515783
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -15.388
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -189.377995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.377995 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.019
local terms energy: -75.982336
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -182.624788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624788 (E_RNA)
where:
Base-Base interactions energy: -111.264
where: short stacking energy: -42.775
Base-Backbone interact. energy: -0.045
local terms energy: -71.315808
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -13.237
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: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -154.559380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.559380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.559380 (E_RNA)
where:
Base-Base interactions energy: -85.682
where: short stacking energy: -39.926
Base-Backbone interact. energy: -0.371
local terms energy: -68.506804
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -97.021598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021598 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.127
local terms energy: -58.675345
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -78.790498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.790498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.790498 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.439
local terms energy: -45.390864
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -73.901915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.901915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.901915 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.621
Base-Backbone interact. energy: 2.465
local terms energy: -51.745805
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -69.799457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.799457 (E_RNA)
where:
Base-Base interactions energy: -20.222
where: short stacking energy: -19.993
Base-Backbone interact. energy: -0.117
local terms energy: -49.460921
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -207.570231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.570231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.570231 (E_RNA)
where:
Base-Base interactions energy: -135.864
where: short stacking energy: -63.347
Base-Backbone interact. energy: -0.001
local terms energy: -71.706119
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -216.127880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.127880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.127880 (E_RNA)
where:
Base-Base interactions energy: -144.080
where: short stacking energy: -56.868
Base-Backbone interact. energy: -0.036
local terms energy: -72.012418
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -16.155
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -184.224520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.224520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.224520 (E_RNA)
where:
Base-Base interactions energy: -115.694
where: short stacking energy: -44.471
Base-Backbone interact. energy: -0.050
local terms energy: -68.480257
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -179.374267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.374267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.374267 (E_RNA)
where:
Base-Base interactions energy: -110.115
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.083
local terms energy: -69.175862
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -185.106428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.106428 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.562
local terms energy: -71.043400
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -137.285089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.285089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.285089 (E_RNA)
where:
Base-Base interactions energy: -77.327
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.424
local terms energy: -59.534397
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -88.024941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024941 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.223
local terms energy: -56.816771
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -1.063
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: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -83.323351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323351 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -24.939
Base-Backbone interact. energy: -1.062
local terms energy: -46.395063
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -68.898269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.898269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.898269 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -22.397
Base-Backbone interact. energy: -0.246
local terms energy: -40.754734
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: 4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -77.089022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.089022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.089022 (E_RNA)
where:
Base-Base interactions energy: -27.992
where: short stacking energy: -27.992
Base-Backbone interact. energy: -0.028
local terms energy: -49.068441
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: 0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -223.409847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409847 (E_RNA)
where:
Base-Base interactions energy: -156.665
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.213
local terms energy: -66.532091
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -215.330639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.330639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.330639 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -70.959
Base-Backbone interact. energy: 0.462
local terms energy: -79.266340
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -20.845
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -184.817061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.817061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.817061 (E_RNA)
where:
Base-Base interactions energy: -126.106
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.088
local terms energy: -58.623325
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -13.122
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: 114
Temperature: 1.050000
Total energy: -175.220994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220994 (E_RNA)
where:
Base-Base interactions energy: -111.181
where: short stacking energy: -46.905
Base-Backbone interact. energy: -0.010
local terms energy: -64.029393
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -16.595
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: 114
Temperature: 1.100000
Total energy: -173.040644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.040644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.040644 (E_RNA)
where:
Base-Base interactions energy: -100.088
where: short stacking energy: -45.896
Base-Backbone interact. energy: 0.716
local terms energy: -73.667923
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.027
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: 114
Temperature: 1.150000
Total energy: -126.819742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.819742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.819742 (E_RNA)
where:
Base-Base interactions energy: -68.854
where: short stacking energy: -37.710
Base-Backbone interact. energy: -1.069
local terms energy: -56.896553
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -82.845643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.845643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.845643 (E_RNA)
where:
Base-Base interactions energy: -29.823
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.318
local terms energy: -52.704768
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -75.538882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.538882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.538882 (E_RNA)
where:
Base-Base interactions energy: -27.477
where: short stacking energy: -15.552
Base-Backbone interact. energy: -0.061
local terms energy: -48.000752
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.506
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: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -75.595150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.595150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.595150 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -25.239
Base-Backbone interact. energy: 0.569
local terms energy: -45.698855
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -0.630
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: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -81.047195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.047195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.047195 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.018
local terms energy: -41.179210
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: 4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -215.385611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.385611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.385611 (E_RNA)
where:
Base-Base interactions energy: -147.224
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.033
local terms energy: -68.128483
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -16.280
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: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -194.475311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.475311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.475311 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.233
local terms energy: -58.768602
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -6.917
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: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -206.242349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.242349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.242349 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -65.434
Base-Backbone interact. energy: 1.613
local terms energy: -76.274123
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -20.424
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: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -197.138615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.138615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.138615 (E_RNA)
where:
Base-Base interactions energy: -125.310
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.060
local terms energy: -71.768690
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -191.668820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.668820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.668820 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.703
local terms energy: -72.836384
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -130.071589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.071589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.071589 (E_RNA)
where:
Base-Base interactions energy: -77.635
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.082
local terms energy: -52.354923
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -8.332
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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -77.355617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.355617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.355617 (E_RNA)
where:
Base-Base interactions energy: -32.584
where: short stacking energy: -29.008
Base-Backbone interact. energy: 1.560
local terms energy: -46.331851
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -79.087183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087183 (E_RNA)
where:
Base-Base interactions energy: -26.426
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.087
local terms energy: -52.574670
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -76.887117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.887117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.887117 (E_RNA)
where:
Base-Base interactions energy: -26.308
where: short stacking energy: -17.727
Base-Backbone interact. energy: -0.510
local terms energy: -50.068732
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: 1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -87.474799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.474799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.474799 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -27.400
Base-Backbone interact. energy: 0.011
local terms energy: -56.541100
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -5.365
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: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -208.130431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.130431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.130431 (E_RNA)
where:
Base-Base interactions energy: -130.237
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.046
local terms energy: -77.846878
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.860
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: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -217.139464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.139464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139464 (E_RNA)
where:
Base-Base interactions energy: -149.392
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.598
local terms energy: -67.149506
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -199.790780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.790780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.790780 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.083
local terms energy: -79.184577
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.961
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: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -182.220153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.220153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.220153 (E_RNA)
where:
Base-Base interactions energy: -115.968
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.033
local terms energy: -66.218567
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -183.816492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.816492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816492 (E_RNA)
where:
Base-Base interactions energy: -116.907
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.240
local terms energy: -66.669786
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -131.654187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.654187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.654187 (E_RNA)
where:
Base-Base interactions energy: -76.226
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.035
local terms energy: -55.393362
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -11.118
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: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -84.078536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078536 (E_RNA)
where:
Base-Base interactions energy: -26.675
where: short stacking energy: -26.675
Base-Backbone interact. energy: -0.113
local terms energy: -57.290072
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -8.478
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: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.575235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575235 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -23.322
Base-Backbone interact. energy: -0.616
local terms energy: -57.976484
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -80.034688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.034688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.034688 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.007
local terms energy: -47.481917
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.161
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: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -74.195397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.195397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.195397 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -24.210
Base-Backbone interact. energy: 0.579
local terms energy: -41.535782
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -1.079
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: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -211.783909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.783909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.783909 (E_RNA)
where:
Base-Base interactions energy: -133.877
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.508
local terms energy: -77.398433
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -206.722190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.722190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722190 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -64.673
Base-Backbone interact. energy: -0.137
local terms energy: -73.106061
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -218.208240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.208240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.208240 (E_RNA)
where:
Base-Base interactions energy: -147.331
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.762
local terms energy: -70.115354
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -172.386444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.386444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.386444 (E_RNA)
where:
Base-Base interactions energy: -106.770
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.246
local terms energy: -65.370048
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -190.940406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.940406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.940406 (E_RNA)
where:
Base-Base interactions energy: -121.200
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.063
local terms energy: -69.677540
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -99.220915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.220915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.220915 (E_RNA)
where:
Base-Base interactions energy: -44.088
where: short stacking energy: -39.387
Base-Backbone interact. energy: 0.776
local terms energy: -55.908475
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -137.489241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.489241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.489241 (E_RNA)
where:
Base-Base interactions energy: -93.081
where: short stacking energy: -38.681
Base-Backbone interact. energy: -1.077
local terms energy: -43.332114
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -86.250738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250738 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -26.566
Base-Backbone interact. energy: -0.133
local terms energy: -53.843238
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -83.175267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.175267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.175267 (E_RNA)
where:
Base-Base interactions energy: -32.899
where: short stacking energy: -20.790
Base-Backbone interact. energy: 0.367
local terms energy: -50.643481
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -78.970419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.970419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.970419 (E_RNA)
where:
Base-Base interactions energy: -33.752
where: short stacking energy: -18.914
Base-Backbone interact. energy: 0.695
local terms energy: -45.913422
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -209.143415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.143415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.143415 (E_RNA)
where:
Base-Base interactions energy: -130.804
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.368
local terms energy: -77.972014
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -204.313286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.313286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313286 (E_RNA)
where:
Base-Base interactions energy: -125.887
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.335
local terms energy: -78.091333
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -205.206688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.206688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.206688 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.732
local terms energy: -56.238014
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -165.853958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.853958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.853958 (E_RNA)
where:
Base-Base interactions energy: -104.772
where: short stacking energy: -47.551
Base-Backbone interact. energy: 1.285
local terms energy: -62.367496
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -193.911557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.911557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.911557 (E_RNA)
where:
Base-Base interactions energy: -123.359
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.007
local terms energy: -70.545504
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -85.683861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683861 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -32.495
Base-Backbone interact. energy: -0.044
local terms energy: -47.318981
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -146.421462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.421462 (E_RNA)
where:
Base-Base interactions energy: -90.083
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.139
local terms energy: -56.199585
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -90.383181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.383181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.383181 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -20.817
Base-Backbone interact. energy: -0.213
local terms energy: -48.162247
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 1.445
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: 118
Temperature: 1.300000
Total energy: -79.494220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494220 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.233
local terms energy: -43.056296
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: 3.121
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: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.494517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.494517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.494517 (E_RNA)
where:
Base-Base interactions energy: -22.287
where: short stacking energy: -22.287
Base-Backbone interact. energy: -0.207
local terms energy: -55.000158
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -6.418
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: 119
Temperature: 0.900000
Total energy: -203.278368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.278368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.278368 (E_RNA)
where:
Base-Base interactions energy: -125.799
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.004
local terms energy: -77.474706
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.749
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: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -215.196504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.196504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.196504 (E_RNA)
where:
Base-Base interactions energy: -140.442
where: short stacking energy: -58.663
Base-Backbone interact. energy: 1.605
local terms energy: -76.359764
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -15.909
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: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -197.799890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.799890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.799890 (E_RNA)
where:
Base-Base interactions energy: -124.342
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.196
local terms energy: -73.261439
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -195.167522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167522 (E_RNA)
where:
Base-Base interactions energy: -120.958
where: short stacking energy: -62.699
Base-Backbone interact. energy: -0.002
local terms energy: -74.207514
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -152.236945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.236945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.236945 (E_RNA)
where:
Base-Base interactions energy: -97.734
where: short stacking energy: -46.058
Base-Backbone interact. energy: -0.323
local terms energy: -54.180708
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: -11.416
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: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -155.446269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.446269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.446269 (E_RNA)
where:
Base-Base interactions energy: -96.649
where: short stacking energy: -43.713
Base-Backbone interact. energy: -0.068
local terms energy: -58.729601
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -84.430811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430811 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.224
local terms energy: -50.188078
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -7.448
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: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -75.070165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.070165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.070165 (E_RNA)
where:
Base-Base interactions energy: -26.917
where: short stacking energy: -10.713
Base-Backbone interact. energy: -0.744
local terms energy: -47.408660
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.626
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -74.072152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.072152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.072152 (E_RNA)
where:
Base-Base interactions energy: -22.428
where: short stacking energy: -22.015
Base-Backbone interact. energy: -0.215
local terms energy: -51.429750
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -2.750
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: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -69.202237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.202237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.202237 (E_RNA)
where:
Base-Base interactions energy: -23.437
where: short stacking energy: -23.437
Base-Backbone interact. energy: -0.145
local terms energy: -45.620084
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -219.757914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.757914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.757914 (E_RNA)
where:
Base-Base interactions energy: -157.024
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.327
local terms energy: -62.406989
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.363
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: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -204.780085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.780085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.780085 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.013
local terms energy: -75.031502
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -196.970192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.970192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.970192 (E_RNA)
where:
Base-Base interactions energy: -126.921
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.162
local terms energy: -69.887186
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -194.228861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.228861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.228861 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.032
local terms energy: -70.660464
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -161.514458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.514458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.514458 (E_RNA)
where:
Base-Base interactions energy: -97.171
where: short stacking energy: -49.034
Base-Backbone interact. energy: -0.081
local terms energy: -64.262718
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.835
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -165.777383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.777383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.777383 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -44.387
Base-Backbone interact. energy: 0.392
local terms energy: -61.330743
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -8.319
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -78.871659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.871659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.871659 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -21.285
Base-Backbone interact. energy: -0.547
local terms energy: -50.477758
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -87.922103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.922103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.922103 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -30.138
Base-Backbone interact. energy: -0.221
local terms energy: -49.213175
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -84.436370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436370 (E_RNA)
where:
Base-Base interactions energy: -28.771
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.221
local terms energy: -55.444262
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -77.898471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.898471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.898471 (E_RNA)
where:
Base-Base interactions energy: -23.849
where: short stacking energy: -23.849
Base-Backbone interact. energy: -0.094
local terms energy: -53.955627
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -2.855
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: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -218.318946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318946 (E_RNA)
where:
Base-Base interactions energy: -149.705
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.344
local terms energy: -68.270791
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -213.000500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.000500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.000500 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.003
local terms energy: -67.273835
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -192.469805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.469805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.469805 (E_RNA)
where:
Base-Base interactions energy: -120.400
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.144
local terms energy: -71.925474
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -15.481
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: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -186.043466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.043466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.043466 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.002
local terms energy: -72.539548
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -151.807995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.807995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.807995 (E_RNA)
where:
Base-Base interactions energy: -86.716
where: short stacking energy: -41.955
Base-Backbone interact. energy: -0.184
local terms energy: -64.908508
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -146.779618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.779618 (E_RNA)
where:
Base-Base interactions energy: -91.876
where: short stacking energy: -39.635
Base-Backbone interact. energy: -0.338
local terms energy: -54.565920
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.878
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: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -80.730364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.730364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.730364 (E_RNA)
where:
Base-Base interactions energy: -24.375
where: short stacking energy: -24.375
Base-Backbone interact. energy: -0.477
local terms energy: -55.878429
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -8.164
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: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -76.085303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.085303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.085303 (E_RNA)
where:
Base-Base interactions energy: -18.415
where: short stacking energy: -18.415
Base-Backbone interact. energy: -0.014
local terms energy: -57.655883
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -77.298409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.298409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.298409 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -25.784
Base-Backbone interact. energy: -0.237
local terms energy: -44.023956
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: 0.663
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -69.502384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.502384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.502384 (E_RNA)
where:
Base-Base interactions energy: -21.756
where: short stacking energy: -20.037
Base-Backbone interact. energy: -0.054
local terms energy: -47.692282
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -207.698494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.698494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.698494 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.067
local terms energy: -74.060162
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -20.406
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -213.245411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.245411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.245411 (E_RNA)
where:
Base-Base interactions energy: -150.709
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.206
local terms energy: -62.330701
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -202.591887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.591887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.591887 (E_RNA)
where:
Base-Base interactions energy: -133.707
where: short stacking energy: -52.169
Base-Backbone interact. energy: -0.048
local terms energy: -68.836795
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -17.497
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: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -193.517064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.517064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.517064 (E_RNA)
where:
Base-Base interactions energy: -122.508
where: short stacking energy: -59.218
Base-Backbone interact. energy: -0.169
local terms energy: -70.839894
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -149.378686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.378686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.378686 (E_RNA)
where:
Base-Base interactions energy: -88.225
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.088
local terms energy: -61.065821
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -9.169
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: 122
Temperature: 1.150000
Total energy: -134.855566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.855566 (E_RNA)
where:
Base-Base interactions energy: -76.754
where: short stacking energy: -42.688
Base-Backbone interact. energy: -0.109
local terms energy: -57.992961
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -74.482168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.482168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.482168 (E_RNA)
where:
Base-Base interactions energy: -21.536
where: short stacking energy: -17.096
Base-Backbone interact. energy: -0.350
local terms energy: -52.596284
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -78.236806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.236806 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.177
local terms energy: -40.278395
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: 3.629
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -76.515011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515011 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -19.252
Base-Backbone interact. energy: -0.146
local terms energy: -45.188611
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -1.184
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: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -74.670246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.670246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.670246 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -29.083
Base-Backbone interact. energy: 0.834
local terms energy: -46.421205
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -208.291188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.291188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.291188 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.036
local terms energy: -71.908752
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -205.795734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795734 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.517
local terms energy: -81.649276
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -203.877138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877138 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -47.150
Base-Backbone interact. energy: -0.651
local terms energy: -64.185774
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -13.750
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -185.141932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.141932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.141932 (E_RNA)
where:
Base-Base interactions energy: -111.436
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.040
local terms energy: -73.666469
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.680
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: 123
Temperature: 1.100000
Total energy: -155.327263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.327263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.327263 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -40.476
Base-Backbone interact. energy: -0.024
local terms energy: -55.879612
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -142.213341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.213341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.213341 (E_RNA)
where:
Base-Base interactions energy: -83.795
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.069
local terms energy: -58.349182
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.297
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: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -94.642599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642599 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -27.800
Base-Backbone interact. energy: 0.016
local terms energy: -59.081592
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.985
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -91.219871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.219871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.219871 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -22.256
Base-Backbone interact. energy: -0.659
local terms energy: -42.859355
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -5.547
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -76.180476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.180476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.180476 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -21.573
Base-Backbone interact. energy: 0.834
local terms energy: -52.987519
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -72.585855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.585855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.585855 (E_RNA)
where:
Base-Base interactions energy: -27.700
where: short stacking energy: -20.659
Base-Backbone interact. energy: -0.174
local terms energy: -44.712386
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -202.720585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.720585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720585 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.250
local terms energy: -74.075351
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -204.092870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.092870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.092870 (E_RNA)
where:
Base-Base interactions energy: -127.710
where: short stacking energy: -60.133
Base-Backbone interact. energy: -0.161
local terms energy: -76.222185
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -186.340868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.340868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.340868 (E_RNA)
where:
Base-Base interactions energy: -122.326
where: short stacking energy: -50.480
Base-Backbone interact. energy: -0.065
local terms energy: -63.949720
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -2.338
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -204.772474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.772474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.772474 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.026
local terms energy: -70.276407
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -148.870651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.870651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.870651 (E_RNA)
where:
Base-Base interactions energy: -88.101
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.082
local terms energy: -60.687849
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -141.602048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.602048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.602048 (E_RNA)
where:
Base-Base interactions energy: -87.367
where: short stacking energy: -37.278
Base-Backbone interact. energy: -0.156
local terms energy: -54.079543
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -1.965
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: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -81.281880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.281880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.281880 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -20.943
Base-Backbone interact. energy: 0.882
local terms energy: -45.959274
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -9.726
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: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -71.902733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.902733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.902733 (E_RNA)
where:
Base-Base interactions energy: -22.190
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.953
local terms energy: -48.760310
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -78.816410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816410 (E_RNA)
where:
Base-Base interactions energy: -24.330
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.063
local terms energy: -54.423309
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -72.104169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.104169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.104169 (E_RNA)
where:
Base-Base interactions energy: -22.332
where: short stacking energy: -22.332
Base-Backbone interact. energy: -0.323
local terms energy: -49.449072
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: 4.061
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: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -200.588890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.588890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.588890 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.113
local terms energy: -75.629031
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.369
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: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -192.652694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.652694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.652694 (E_RNA)
where:
Base-Base interactions energy: -124.259
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.488
local terms energy: -67.905253
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -198.732842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.732842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.732842 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -59.032
Base-Backbone interact. energy: -0.870
local terms energy: -70.900873
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.207
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: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -192.586071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.586071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.586071 (E_RNA)
where:
Base-Base interactions energy: -134.476
where: short stacking energy: -51.322
Base-Backbone interact. energy: -0.025
local terms energy: -58.084945
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -11.640
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: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -149.712506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712506 (E_RNA)
where:
Base-Base interactions energy: -90.130
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.249
local terms energy: -59.333258
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -133.398334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.398334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.398334 (E_RNA)
where:
Base-Base interactions energy: -79.985
where: short stacking energy: -44.981
Base-Backbone interact. energy: -0.002
local terms energy: -53.411816
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -5.641
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: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -78.487356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.487356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.487356 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -22.799
Base-Backbone interact. energy: -0.086
local terms energy: -47.502404
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -101.707580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.707580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.707580 (E_RNA)
where:
Base-Base interactions energy: -38.233
where: short stacking energy: -38.233
Base-Backbone interact. energy: -2.047
local terms energy: -61.427848
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -6.479
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: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -79.381472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.381472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.381472 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -31.497
Base-Backbone interact. energy: -0.145
local terms energy: -42.543208
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -81.162666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.162666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.162666 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -26.804
Base-Backbone interact. energy: -0.240
local terms energy: -53.521921
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -4.456
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: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -206.254154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.254154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254154 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.341
local terms energy: -72.900487
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -200.297435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.297435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.297435 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.029
local terms energy: -72.283723
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.563
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: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -189.221356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.221356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.221356 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.269
local terms energy: -61.853951
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.070
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -196.050044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.050044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.050044 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -57.666
Base-Backbone interact. energy: -0.722
local terms energy: -70.537157
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -185.445168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.445168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.445168 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.060
local terms energy: -69.958488
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -139.567934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.567934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.567934 (E_RNA)
where:
Base-Base interactions energy: -80.252
where: short stacking energy: -40.755
Base-Backbone interact. energy: -0.121
local terms energy: -59.195149
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -91.175625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.175625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.175625 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.232
local terms energy: -43.358580
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -73.304723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.304723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.304723 (E_RNA)
where:
Base-Base interactions energy: -23.144
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.773
local terms energy: -49.388203
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -76.883936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883936 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -25.663
Base-Backbone interact. energy: -0.021
local terms energy: -48.374488
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -7.344
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: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.769283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.769283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.769283 (E_RNA)
where:
Base-Base interactions energy: -24.990
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.069
local terms energy: -52.709893
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -212.142626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.142626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.142626 (E_RNA)
where:
Base-Base interactions energy: -137.289
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.134
local terms energy: -74.719379
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -201.745261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.745261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745261 (E_RNA)
where:
Base-Base interactions energy: -122.737
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.711
local terms energy: -78.297022
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -203.081244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.081244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.081244 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.205
local terms energy: -64.833890
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -201.570954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.570954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.570954 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.340
local terms energy: -72.671071
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -190.802983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.802983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.802983 (E_RNA)
where:
Base-Base interactions energy: -131.755
where: short stacking energy: -60.932
Base-Backbone interact. energy: 0.253
local terms energy: -59.300276
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -93.263731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263731 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.164
local terms energy: -52.141433
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -135.947123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.947123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.947123 (E_RNA)
where:
Base-Base interactions energy: -79.805
where: short stacking energy: -44.436
Base-Backbone interact. energy: 1.408
local terms energy: -57.549930
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -80.070314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.070314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.070314 (E_RNA)
where:
Base-Base interactions energy: -21.592
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.044
local terms energy: -58.435063
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -71.990369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.990369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.990369 (E_RNA)
where:
Base-Base interactions energy: -23.741
where: short stacking energy: -23.741
Base-Backbone interact. energy: -0.232
local terms energy: -48.017113
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -74.142061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.142061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.142061 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -11.276
Base-Backbone interact. energy: -0.260
local terms energy: -41.188542
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -207.508458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.508458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.508458 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.072
local terms energy: -79.023079
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -198.225448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.225448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.225448 (E_RNA)
where:
Base-Base interactions energy: -126.380
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.073
local terms energy: -71.773232
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -14.931
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: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -212.470722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.470722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.470722 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.381
local terms energy: -73.799251
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -195.392901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.392901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.392901 (E_RNA)
where:
Base-Base interactions energy: -125.006
where: short stacking energy: -60.990
Base-Backbone interact. energy: -0.188
local terms energy: -70.199135
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -186.227255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.227255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.227255 (E_RNA)
where:
Base-Base interactions energy: -118.129
where: short stacking energy: -63.166
Base-Backbone interact. energy: 0.532
local terms energy: -68.630242
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -89.001712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001712 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.081
local terms energy: -54.183340
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -107.446211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.446211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.446211 (E_RNA)
where:
Base-Base interactions energy: -39.978
where: short stacking energy: -35.304
Base-Backbone interact. energy: -0.404
local terms energy: -67.064195
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -15.844
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: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -144.862123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.862123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.862123 (E_RNA)
where:
Base-Base interactions energy: -77.946
where: short stacking energy: -38.350
Base-Backbone interact. energy: -0.013
local terms energy: -66.902945
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -11.175
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: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -77.432493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432493 (E_RNA)
where:
Base-Base interactions energy: -29.374
where: short stacking energy: -22.373
Base-Backbone interact. energy: 1.167
local terms energy: -49.225303
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: 0.363
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: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -81.632711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632711 (E_RNA)
where:
Base-Base interactions energy: -34.465
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.139
local terms energy: -47.028609
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -210.907229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.907229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907229 (E_RNA)
where:
Base-Base interactions energy: -137.730
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.045
local terms energy: -73.131864
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -222.988312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.988312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.988312 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -64.145
Base-Backbone interact. energy: 0.823
local terms energy: -65.922388
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -199.823919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.823919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.823919 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -51.184
Base-Backbone interact. energy: -0.429
local terms energy: -75.997838
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -186.452728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.452728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.452728 (E_RNA)
where:
Base-Base interactions energy: -116.210
where: short stacking energy: -57.281
Base-Backbone interact. energy: -0.093
local terms energy: -70.149464
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -182.005756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.005756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.005756 (E_RNA)
where:
Base-Base interactions energy: -117.404
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.873
local terms energy: -63.729059
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -92.842474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.842474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.842474 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.064
local terms energy: -56.922662
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -5.483
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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -73.201239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.201239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.201239 (E_RNA)
where:
Base-Base interactions energy: -19.687
where: short stacking energy: -19.687
Base-Backbone interact. energy: -0.115
local terms energy: -53.398792
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: 0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -133.141529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.141529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.141529 (E_RNA)
where:
Base-Base interactions energy: -71.654
where: short stacking energy: -39.844
Base-Backbone interact. energy: -0.155
local terms energy: -61.332765
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -10.902
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: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -80.221900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221900 (E_RNA)
where:
Base-Base interactions energy: -26.583
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.013
local terms energy: -53.625909
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -71.128031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128031 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -19.997
Base-Backbone interact. energy: -0.032
local terms energy: -49.381791
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.887192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.887192 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -58.577
Base-Backbone interact. energy: 0.859
local terms energy: -74.620417
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.017
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: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -202.487192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.487192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.487192 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.310
local terms energy: -77.128661
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.368
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -196.491199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.491199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.491199 (E_RNA)
where:
Base-Base interactions energy: -131.624
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.075
local terms energy: -64.792709
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.354
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: 130
Temperature: 1.050000
Total energy: -184.502399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.502399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.502399 (E_RNA)
where:
Base-Base interactions energy: -113.768
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.023
local terms energy: -70.711126
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -189.923285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.923285 (E_RNA)
where:
Base-Base interactions energy: -121.319
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.577
local terms energy: -68.027521
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -93.463314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.463314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.463314 (E_RNA)
where:
Base-Base interactions energy: -35.334
where: short stacking energy: -35.334
Base-Backbone interact. energy: -0.203
local terms energy: -57.926543
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -137.243303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.243303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.243303 (E_RNA)
where:
Base-Base interactions energy: -85.850
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.941
local terms energy: -50.452422
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -78.403070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.403070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.403070 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.239
local terms energy: -51.063260
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -78.290203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.290203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.290203 (E_RNA)
where:
Base-Base interactions energy: -22.182
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.038
local terms energy: -56.069924
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -6.825
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: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -93.630187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.630187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.630187 (E_RNA)
where:
Base-Base interactions energy: -55.974
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.255
local terms energy: -37.401131
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -223.579455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.579455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.579455 (E_RNA)
where:
Base-Base interactions energy: -153.704
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.221
local terms energy: -69.654720
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -195.413597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413597 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -63.877
Base-Backbone interact. energy: -1.183
local terms energy: -70.233641
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -210.746415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.746415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.746415 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -63.890
Base-Backbone interact. energy: 0.927
local terms energy: -81.165893
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -188.283846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.283846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.283846 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -45.847
Base-Backbone interact. energy: -0.096
local terms energy: -65.333956
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -193.838170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.838170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.838170 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.091
local terms energy: -70.323406
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -8.729
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -149.549659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.549659 (E_RNA)
where:
Base-Base interactions energy: -99.024
where: short stacking energy: -39.602
Base-Backbone interact. energy: -0.237
local terms energy: -50.288298
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -95.599670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599670 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -29.169
Base-Backbone interact. energy: 0.297
local terms energy: -56.575526
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -92.312584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312584 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.206
local terms energy: -56.983844
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -7.474
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: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -74.934569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.934569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.934569 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.481
local terms energy: -47.381104
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -98.121921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.121921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.121921 (E_RNA)
where:
Base-Base interactions energy: -48.612
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.096
local terms energy: -49.414033
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -227.417146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417146 (E_RNA)
where:
Base-Base interactions energy: -159.119
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.244
local terms energy: -68.053339
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -16.669
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: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -200.950120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.950120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.950120 (E_RNA)
where:
Base-Base interactions energy: -132.749
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.002
local terms energy: -68.198729
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -195.217532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.217532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.217532 (E_RNA)
where:
Base-Base interactions energy: -120.651
where: short stacking energy: -57.430
Base-Backbone interact. energy: -0.080
local terms energy: -74.487209
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -196.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.249973 (E_RNA)
where:
Base-Base interactions energy: -124.387
where: short stacking energy: -58.746
Base-Backbone interact. energy: -0.072
local terms energy: -71.791479
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -178.969975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.969975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.969975 (E_RNA)
where:
Base-Base interactions energy: -107.536
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.838
local terms energy: -70.595987
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -14.839
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: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -150.389383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.389383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.389383 (E_RNA)
where:
Base-Base interactions energy: -92.755
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.100
local terms energy: -57.534007
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -98.081968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.081968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.081968 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -31.492
Base-Backbone interact. energy: -0.925
local terms energy: -62.077173
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -10.152
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: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -79.635410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.635410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.635410 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.184
local terms energy: -47.905304
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -3.286
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: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -84.028822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.028822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.028822 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -30.818
Base-Backbone interact. energy: -0.439
local terms energy: -46.596017
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -6.440
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.676810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.676810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.676810 (E_RNA)
where:
Base-Base interactions energy: -27.390
where: short stacking energy: -27.390
Base-Backbone interact. energy: 0.792
local terms energy: -48.079024
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -2.250
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: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -226.282134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.282134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.282134 (E_RNA)
where:
Base-Base interactions energy: -159.012
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.510
local terms energy: -66.760152
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -202.876755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.876755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.876755 (E_RNA)
where:
Base-Base interactions energy: -125.468
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.001
local terms energy: -77.407991
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -182.926644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.926644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.926644 (E_RNA)
where:
Base-Base interactions energy: -116.736
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.309
local terms energy: -65.880934
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -192.517317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.517317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.517317 (E_RNA)
where:
Base-Base interactions energy: -118.835
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.013
local terms energy: -73.669480
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -16.064
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -190.455165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.455165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.455165 (E_RNA)
where:
Base-Base interactions energy: -124.390
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.141
local terms energy: -65.923706
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -4.998
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -91.913975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913975 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -23.132
Base-Backbone interact. energy: 0.067
local terms energy: -53.362795
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -151.096073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.096073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.096073 (E_RNA)
where:
Base-Base interactions energy: -90.989
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.218
local terms energy: -59.889113
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -6.065
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.524186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.524186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.524186 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -27.407
Base-Backbone interact. energy: -0.393
local terms energy: -46.999255
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -80.626352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.626352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.626352 (E_RNA)
where:
Base-Base interactions energy: -30.253
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.176
local terms energy: -50.197262
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -2.515
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: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -71.291044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.291044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.291044 (E_RNA)
where:
Base-Base interactions energy: -18.557
where: short stacking energy: -18.557
Base-Backbone interact. energy: -1.560
local terms energy: -51.174365
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -0.179
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: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -209.642255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.642255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.642255 (E_RNA)
where:
Base-Base interactions energy: -132.116
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.446
local terms energy: -77.080900
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.603
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -205.127276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.127276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.127276 (E_RNA)
where:
Base-Base interactions energy: -129.762
where: short stacking energy: -47.387
Base-Backbone interact. energy: -0.279
local terms energy: -75.086161
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.314
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: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -210.713842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.713842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.713842 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.058
local terms energy: -68.569739
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -191.908046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.908046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.908046 (E_RNA)
where:
Base-Base interactions energy: -119.051
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.886
local terms energy: -71.971436
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -19.937
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: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -198.566714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.566714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.566714 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.002
local terms energy: -81.228212
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -92.367555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.367555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.367555 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.003
local terms energy: -53.463520
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -121.796403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.796403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.796403 (E_RNA)
where:
Base-Base interactions energy: -77.717
where: short stacking energy: -29.430
Base-Backbone interact. energy: -0.144
local terms energy: -43.935121
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -2.471
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: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -90.141405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.141405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.141405 (E_RNA)
where:
Base-Base interactions energy: -40.532
where: short stacking energy: -35.919
Base-Backbone interact. energy: 1.874
local terms energy: -51.482540
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -5.742
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: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -81.126347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126347 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -29.611
Base-Backbone interact. energy: 1.503
local terms energy: -53.018671
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -68.918284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.918284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.918284 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -9.868
Base-Backbone interact. energy: 0.507
local terms energy: -44.956802
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -213.315824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.315824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.315824 (E_RNA)
where:
Base-Base interactions energy: -139.512
where: short stacking energy: -52.452
Base-Backbone interact. energy: -0.106
local terms energy: -73.697590
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -197.555911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555911 (E_RNA)
where:
Base-Base interactions energy: -125.736
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.659
local terms energy: -71.161040
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -221.708726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.708726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.708726 (E_RNA)
where:
Base-Base interactions energy: -150.119
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.264
local terms energy: -71.326676
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -12.791
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: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -197.018211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.018211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.018211 (E_RNA)
where:
Base-Base interactions energy: -122.201
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.023
local terms energy: -74.793696
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -201.469404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.469404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.469404 (E_RNA)
where:
Base-Base interactions energy: -125.715
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.100
local terms energy: -75.655091
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -95.338279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.338279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.338279 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.567
local terms energy: -57.527779
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -6.014
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: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -90.809586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.809586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.809586 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -27.864
Base-Backbone interact. energy: -0.544
local terms energy: -50.937932
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -86.490612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490612 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.053
local terms energy: -56.406496
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -74.418373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.418373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.418373 (E_RNA)
where:
Base-Base interactions energy: -20.426
where: short stacking energy: -19.758
Base-Backbone interact. energy: -0.120
local terms energy: -53.872632
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -68.706619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.706619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.706619 (E_RNA)
where:
Base-Base interactions energy: -17.593
where: short stacking energy: -17.593
Base-Backbone interact. energy: -0.092
local terms energy: -51.022259
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -200.644909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.644909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644909 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.080
local terms energy: -81.461437
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.165
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: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -199.288530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288530 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.090
local terms energy: -65.405964
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -19.913
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -204.634273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.634273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.634273 (E_RNA)
where:
Base-Base interactions energy: -121.417
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.006
local terms energy: -83.211843
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -204.367142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.367142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367142 (E_RNA)
where:
Base-Base interactions energy: -135.958
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.379
local terms energy: -68.030520
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -15.772
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: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -196.099904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.099904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.099904 (E_RNA)
where:
Base-Base interactions energy: -119.894
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.002
local terms energy: -76.203164
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -107.271961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.271961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.271961 (E_RNA)
where:
Base-Base interactions energy: -58.921
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.107
local terms energy: -48.244657
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -6.644
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -81.155342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.155342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.155342 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -23.465
Base-Backbone interact. energy: -0.116
local terms energy: -50.470193
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -82.030862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030862 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.588
local terms energy: -52.420951
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -77.180557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180557 (E_RNA)
where:
Base-Base interactions energy: -23.991
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.748
local terms energy: -52.442084
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -94.407206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.407206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.407206 (E_RNA)
where:
Base-Base interactions energy: -48.958
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.185
local terms energy: -45.264128
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -4.750
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: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -207.130048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.130048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.130048 (E_RNA)
where:
Base-Base interactions energy: -131.071
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.036
local terms energy: -76.023082
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -216.873386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.873386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.873386 (E_RNA)
where:
Base-Base interactions energy: -143.988
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.012
local terms energy: -72.874167
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -10.087
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: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -185.582363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.582363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.582363 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -51.775
Base-Backbone interact. energy: -0.587
local terms energy: -64.190817
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -13.621
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -199.559364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.559364 (E_RNA)
where:
Base-Base interactions energy: -129.924
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.114
local terms energy: -69.521304
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -188.315309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.315309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.315309 (E_RNA)
where:
Base-Base interactions energy: -120.708
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.181
local terms energy: -67.425923
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.412
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: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -82.491093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491093 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.170
local terms energy: -52.827017
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -89.038523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038523 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -21.342
Base-Backbone interact. energy: -0.184
local terms energy: -49.862045
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -82.515358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515358 (E_RNA)
where:
Base-Base interactions energy: -24.099
where: short stacking energy: -22.998
Base-Backbone interact. energy: -1.379
local terms energy: -57.037534
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -4.371
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: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -73.300359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.300359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.300359 (E_RNA)
where:
Base-Base interactions energy: -20.922
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.169
local terms energy: -52.209306
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -69.255137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.255137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.255137 (E_RNA)
where:
Base-Base interactions energy: -27.795
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.135
local terms energy: -41.325566
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -8.693
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -208.286724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.286724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.286724 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.006
local terms energy: -71.501155
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -214.012208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.012208 (E_RNA)
where:
Base-Base interactions energy: -135.445
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.150
local terms energy: -78.417113
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -179.479598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.479598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.479598 (E_RNA)
where:
Base-Base interactions energy: -113.224
where: short stacking energy: -48.429
Base-Backbone interact. energy: -0.008
local terms energy: -66.247768
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -189.092622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.092622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.092622 (E_RNA)
where:
Base-Base interactions energy: -111.921
where: short stacking energy: -52.941
Base-Backbone interact. energy: 0.048
local terms energy: -77.219975
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.643
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -172.061298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.061298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.061298 (E_RNA)
where:
Base-Base interactions energy: -117.910
where: short stacking energy: -37.716
Base-Backbone interact. energy: 0.376
local terms energy: -54.527883
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -5.383
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: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -83.799174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799174 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.010
local terms energy: -49.330347
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -6.540
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: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -91.794361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794361 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -21.920
Base-Backbone interact. energy: -0.275
local terms energy: -49.825505
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -87.152044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.152044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.152044 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.306
local terms energy: -48.051476
where:
bonds (distance) C4'-P energy: -5.759
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -78.722694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.722694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.722694 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -22.297
Base-Backbone interact. energy: 0.958
local terms energy: -44.298145
where:
bonds (distance) C4'-P energy: -6.822
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -66.409341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.409341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.409341 (E_RNA)
where:
Base-Base interactions energy: -24.211
where: short stacking energy: -13.800
Base-Backbone interact. energy: -0.258
local terms energy: -41.940955
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -208.298432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.298432 (E_RNA)
where:
Base-Base interactions energy: -128.547
where: short stacking energy: -75.654
Base-Backbone interact. energy: -0.054
local terms energy: -79.696765
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -22.127
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: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -179.029522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.029522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.029522 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -53.589
Base-Backbone interact. energy: -0.091
local terms energy: -56.462016
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -203.196040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.196040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.196040 (E_RNA)
where:
Base-Base interactions energy: -131.241
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.952
local terms energy: -71.002658
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -154.658326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.658326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.658326 (E_RNA)
where:
Base-Base interactions energy: -95.866
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.123
local terms energy: -58.669381
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -10.679
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: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -165.993881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.993881 (E_RNA)
where:
Base-Base interactions energy: -98.817
where: short stacking energy: -51.677
Base-Backbone interact. energy: -0.128
local terms energy: -67.048634
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -107.704777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.704777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.704777 (E_RNA)
where:
Base-Base interactions energy: -61.797
where: short stacking energy: -29.089
Base-Backbone interact. energy: 0.223
local terms energy: -46.130779
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -95.924691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.924691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.924691 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -36.279
Base-Backbone interact. energy: -0.030
local terms energy: -55.076213
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -83.724039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724039 (E_RNA)
where:
Base-Base interactions energy: -24.551
where: short stacking energy: -21.433
Base-Backbone interact. energy: -1.248
local terms energy: -57.925121
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.262
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -78.909857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.909857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.909857 (E_RNA)
where:
Base-Base interactions energy: -19.388
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.233
local terms energy: -59.288224
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.063
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: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -76.701629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.701629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.701629 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -17.564
Base-Backbone interact. energy: -0.147
local terms energy: -43.566963
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: 0.557
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: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -213.957380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957380 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.080
local terms energy: -86.640118
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -171.962004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.962004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.962004 (E_RNA)
where:
Base-Base interactions energy: -112.430
where: short stacking energy: -50.187
Base-Backbone interact. energy: -1.114
local terms energy: -58.418396
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -200.831903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.831903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831903 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.007
local terms energy: -80.030897
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -19.894
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -159.276739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.276739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.276739 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.037
local terms energy: -69.977520
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -188.053187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.053187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.053187 (E_RNA)
where:
Base-Base interactions energy: -121.880
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.004
local terms energy: -66.168578
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -90.724492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724492 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.106
local terms energy: -57.428431
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -83.897714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.897714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.897714 (E_RNA)
where:
Base-Base interactions energy: -28.634
where: short stacking energy: -28.434
Base-Backbone interact. energy: -0.154
local terms energy: -55.109567
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -81.561338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561338 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.100
local terms energy: -49.609279
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -78.365657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.365657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.365657 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.930
local terms energy: -48.693801
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -83.569349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.569349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.569349 (E_RNA)
where:
Base-Base interactions energy: -41.987
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.581
local terms energy: -41.001410
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -6.240
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: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -209.765676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.765676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.765676 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.004
local terms energy: -78.085314
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.195
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: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -197.140218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.140218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.140218 (E_RNA)
where:
Base-Base interactions energy: -116.102
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.355
local terms energy: -80.683218
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -164.823860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.823860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.823860 (E_RNA)
where:
Base-Base interactions energy: -100.419
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.026
local terms energy: -64.378954
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -184.994644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.994644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.994644 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.082
local terms energy: -70.376144
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -155.375113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.375113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.375113 (E_RNA)
where:
Base-Base interactions energy: -91.471
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.295
local terms energy: -63.609118
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -85.945269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945269 (E_RNA)
where:
Base-Base interactions energy: -27.494
where: short stacking energy: -27.494
Base-Backbone interact. energy: 0.658
local terms energy: -59.108471
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -83.342962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.342962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.342962 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -29.870
Base-Backbone interact. energy: -0.043
local terms energy: -48.653247
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -76.706351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.706351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.706351 (E_RNA)
where:
Base-Base interactions energy: -27.157
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.183
local terms energy: -49.365953
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -71.944986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.944986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.944986 (E_RNA)
where:
Base-Base interactions energy: -18.636
where: short stacking energy: -14.072
Base-Backbone interact. energy: -0.060
local terms energy: -53.249529
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -3.121
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -76.063971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.063971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.063971 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -10.782
Base-Backbone interact. energy: -0.816
local terms energy: -40.841573
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: 3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -211.027659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.027659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.027659 (E_RNA)
where:
Base-Base interactions energy: -135.806
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.164
local terms energy: -75.057540
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.562
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -196.321985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.321985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.321985 (E_RNA)
where:
Base-Base interactions energy: -117.182
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.148
local terms energy: -78.992414
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -190.199281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199281 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.002
local terms energy: -65.086294
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -13.710
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: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -179.279903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.279903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.279903 (E_RNA)
where:
Base-Base interactions energy: -110.211
where: short stacking energy: -51.797
Base-Backbone interact. energy: -0.007
local terms energy: -69.062001
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -13.023
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: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -149.925220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.925220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.925220 (E_RNA)
where:
Base-Base interactions energy: -93.324
where: short stacking energy: -52.546
Base-Backbone interact. energy: 0.856
local terms energy: -57.457441
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -92.686271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.686271 (E_RNA)
where:
Base-Base interactions energy: -42.539
where: short stacking energy: -26.901
Base-Backbone interact. energy: 0.158
local terms energy: -50.305908
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -95.387367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.387367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.387367 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -31.073
Base-Backbone interact. energy: -0.714
local terms energy: -52.835408
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -91.931120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.931120 (E_RNA)
where:
Base-Base interactions energy: -27.480
where: short stacking energy: -23.518
Base-Backbone interact. energy: -0.086
local terms energy: -64.364529
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.449
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: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -81.547314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547314 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.393
Base-Backbone interact. energy: -0.151
local terms energy: -58.724344
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -68.799514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.799514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.799514 (E_RNA)
where:
Base-Base interactions energy: -27.306
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.161
local terms energy: -41.332377
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -202.831396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.831396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.831396 (E_RNA)
where:
Base-Base interactions energy: -131.546
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.301
local terms energy: -70.984175
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -202.998393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.998393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.998393 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -67.828
Base-Backbone interact. energy: 0.452
local terms energy: -78.968243
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -20.113
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: 143
Temperature: 1.000000
Total energy: -194.460967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460967 (E_RNA)
where:
Base-Base interactions energy: -125.694
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.005
local terms energy: -68.761104
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -193.847842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.847842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.847842 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.115
local terms energy: -77.147540
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -20.680
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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -155.291794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.291794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.291794 (E_RNA)
where:
Base-Base interactions energy: -85.768
where: short stacking energy: -40.007
Base-Backbone interact. energy: -0.058
local terms energy: -69.465455
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -12.788
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: 143
Temperature: 1.150000
Total energy: -88.977972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977972 (E_RNA)
where:
Base-Base interactions energy: -35.908
where: short stacking energy: -22.760
Base-Backbone interact. energy: -1.095
local terms energy: -51.975085
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -97.477738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.477738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.477738 (E_RNA)
where:
Base-Base interactions energy: -46.935
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.041
local terms energy: -50.501122
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -83.221809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221809 (E_RNA)
where:
Base-Base interactions energy: -26.293
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.062
local terms energy: -56.865907
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -13.400
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: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.287480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.287480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.287480 (E_RNA)
where:
Base-Base interactions energy: -22.559
where: short stacking energy: -22.505
Base-Backbone interact. energy: -0.264
local terms energy: -55.463785
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -73.325232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.325232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.325232 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -15.480
Base-Backbone interact. energy: -0.233
local terms energy: -41.674899
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: 0.956
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: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -210.575125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.575125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.575125 (E_RNA)
where:
Base-Base interactions energy: -134.382
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.202
local terms energy: -75.991707
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -21.428
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: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -198.085058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.085058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.085058 (E_RNA)
where:
Base-Base interactions energy: -125.833
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.057
local terms energy: -72.195789
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -203.685588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.685588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.685588 (E_RNA)
where:
Base-Base interactions energy: -126.203
where: short stacking energy: -65.891
Base-Backbone interact. energy: -0.006
local terms energy: -77.476042
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -189.893968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.893968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.893968 (E_RNA)
where:
Base-Base interactions energy: -120.200
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.990
local terms energy: -68.703908
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -138.354730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.354730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.354730 (E_RNA)
where:
Base-Base interactions energy: -74.372
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.077
local terms energy: -63.905762
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -14.501
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: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -89.001956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001956 (E_RNA)
where:
Base-Base interactions energy: -34.860
where: short stacking energy: -34.860
Base-Backbone interact. energy: 1.023
local terms energy: -55.165012
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -87.495479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495479 (E_RNA)
where:
Base-Base interactions energy: -46.022
where: short stacking energy: -17.642
Base-Backbone interact. energy: 0.203
local terms energy: -41.677026
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -81.346821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346821 (E_RNA)
where:
Base-Base interactions energy: -26.670
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.089
local terms energy: -54.587439
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -74.880134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880134 (E_RNA)
where:
Base-Base interactions energy: -23.249
where: short stacking energy: -21.073
Base-Backbone interact. energy: -0.201
local terms energy: -51.429885
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -71.109058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.109058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.109058 (E_RNA)
where:
Base-Base interactions energy: -17.533
where: short stacking energy: -11.572
Base-Backbone interact. energy: -0.984
local terms energy: -52.591521
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -210.155826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.155826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155826 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.006
local terms energy: -81.563577
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -17.249
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: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -206.653632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653632 (E_RNA)
where:
Base-Base interactions energy: -128.881
where: short stacking energy: -60.648
Base-Backbone interact. energy: -0.000
local terms energy: -77.772473
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -19.513
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: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -194.907165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907165 (E_RNA)
where:
Base-Base interactions energy: -129.116
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.001
local terms energy: -65.789974
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.049
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -187.975908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.975908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.975908 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -44.774
Base-Backbone interact. energy: -0.000
local terms energy: -66.602602
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -13.570
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: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -143.235057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.235057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.235057 (E_RNA)
where:
Base-Base interactions energy: -79.875
where: short stacking energy: -42.123
Base-Backbone interact. energy: -0.075
local terms energy: -63.285192
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -117.038483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.038483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.038483 (E_RNA)
where:
Base-Base interactions energy: -56.402
where: short stacking energy: -46.320
Base-Backbone interact. energy: 0.217
local terms energy: -60.853805
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -7.071
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: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -85.051834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051834 (E_RNA)
where:
Base-Base interactions energy: -32.030
where: short stacking energy: -27.123
Base-Backbone interact. energy: 0.365
local terms energy: -53.386101
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -6.581
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: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -78.900572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.900572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.900572 (E_RNA)
where:
Base-Base interactions energy: -32.393
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.358
local terms energy: -46.148893
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -76.079631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.079631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.079631 (E_RNA)
where:
Base-Base interactions energy: -23.348
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.034
local terms energy: -52.698050
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -75.699642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699642 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.200
local terms energy: -42.617329
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.673
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -206.587769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.587769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.587769 (E_RNA)
where:
Base-Base interactions energy: -128.339
where: short stacking energy: -54.199
Base-Backbone interact. energy: 0.175
local terms energy: -78.423041
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -200.136500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.136500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.136500 (E_RNA)
where:
Base-Base interactions energy: -120.867
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.010
local terms energy: -79.259876
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -204.635964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.635964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635964 (E_RNA)
where:
Base-Base interactions energy: -130.761
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.072
local terms energy: -73.802956
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -192.310023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.310023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.310023 (E_RNA)
where:
Base-Base interactions energy: -123.546
where: short stacking energy: -56.124
Base-Backbone interact. energy: 0.025
local terms energy: -68.789312
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -136.244603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.244603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.244603 (E_RNA)
where:
Base-Base interactions energy: -78.339
where: short stacking energy: -38.688
Base-Backbone interact. energy: -1.277
local terms energy: -56.628628
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -102.387220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.387220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.387220 (E_RNA)
where:
Base-Base interactions energy: -50.706
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.087
local terms energy: -51.593599
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -94.390425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.390425 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.008
local terms energy: -54.122981
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -76.942804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.942804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.942804 (E_RNA)
where:
Base-Base interactions energy: -28.082
where: short stacking energy: -20.058
Base-Backbone interact. energy: -0.148
local terms energy: -48.713464
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -76.360485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360485 (E_RNA)
where:
Base-Base interactions energy: -20.738
where: short stacking energy: -16.098
Base-Backbone interact. energy: -0.113
local terms energy: -55.509749
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -73.688637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.688637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.688637 (E_RNA)
where:
Base-Base interactions energy: -32.309
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.070
local terms energy: -41.310028
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -211.625166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.625166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.625166 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.001
local terms energy: -71.048558
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -17.267
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: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -201.718191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.718191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.718191 (E_RNA)
where:
Base-Base interactions energy: -138.529
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.002
local terms energy: -63.187361
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -202.038755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.038755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.038755 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.224
local terms energy: -69.193237
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.604
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: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -199.262726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.262726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.262726 (E_RNA)
where:
Base-Base interactions energy: -127.256
where: short stacking energy: -61.166
Base-Backbone interact. energy: -0.078
local terms energy: -71.929201
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.491
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: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -152.006453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.006453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.006453 (E_RNA)
where:
Base-Base interactions energy: -91.219
where: short stacking energy: -47.501
Base-Backbone interact. energy: -0.250
local terms energy: -60.537865
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.539
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -92.814306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.814306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.814306 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.150
local terms energy: -57.835055
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -5.345
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -94.631375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.631375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.631375 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.011
local terms energy: -57.807813
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -10.981
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: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -89.474683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474683 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.425
local terms energy: -53.990211
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -79.056174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.056174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.056174 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -20.204
Base-Backbone interact. energy: 0.471
local terms energy: -44.102428
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: 0.223
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: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -71.566804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.566804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.566804 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.309
local terms energy: -43.146910
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -6.471
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -214.969949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.969949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.969949 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.633
local terms energy: -78.800861
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -203.695041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.695041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.695041 (E_RNA)
where:
Base-Base interactions energy: -134.525
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.252
local terms energy: -68.918046
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -208.607405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.607405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.607405 (E_RNA)
where:
Base-Base interactions energy: -139.317
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.002
local terms energy: -69.288289
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -190.696144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696144 (E_RNA)
where:
Base-Base interactions energy: -121.040
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.002
local terms energy: -69.654272
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -19.067
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: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -160.882621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.882621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.882621 (E_RNA)
where:
Base-Base interactions energy: -96.483
where: short stacking energy: -57.624
Base-Backbone interact. energy: 0.567
local terms energy: -64.966276
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -87.014096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.014096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.014096 (E_RNA)
where:
Base-Base interactions energy: -39.040
where: short stacking energy: -28.958
Base-Backbone interact. energy: 0.111
local terms energy: -48.085417
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.269
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -78.586943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.586943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.586943 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.214
local terms energy: -46.933940
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -79.567077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567077 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.097
local terms energy: -52.817535
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -73.153055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.153055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.153055 (E_RNA)
where:
Base-Base interactions energy: -25.055
where: short stacking energy: -19.284
Base-Backbone interact. energy: -0.102
local terms energy: -47.995862
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.259
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: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.641672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.641672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.641672 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -28.216
Base-Backbone interact. energy: -0.228
local terms energy: -45.047923
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: 2.512
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: 149
Temperature: 0.900000
Total energy: -199.675194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.675194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.675194 (E_RNA)
where:
Base-Base interactions energy: -127.119
where: short stacking energy: -58.840
Base-Backbone interact. energy: -0.731
local terms energy: -71.825206
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -205.312349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.312349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.312349 (E_RNA)
where:
Base-Base interactions energy: -128.227
where: short stacking energy: -62.195
Base-Backbone interact. energy: 2.353
local terms energy: -79.438788
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -204.487163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.487163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.487163 (E_RNA)
where:
Base-Base interactions energy: -129.686
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.333
local terms energy: -74.468607
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.141
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: 149
Temperature: 1.050000
Total energy: -181.104063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104063 (E_RNA)
where:
Base-Base interactions energy: -119.382
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.100
local terms energy: -61.621484
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -149.712714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712714 (E_RNA)
where:
Base-Base interactions energy: -91.702
where: short stacking energy: -40.676
Base-Backbone interact. energy: 0.382
local terms energy: -58.393294
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -97.845418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.845418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.845418 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.039
local terms energy: -59.957004
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -78.123662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.123662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.123662 (E_RNA)
where:
Base-Base interactions energy: -25.226
where: short stacking energy: -19.534
Base-Backbone interact. energy: -1.336
local terms energy: -51.561098
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -0.145
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: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -82.636640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636640 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.007
local terms energy: -51.035148
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -79.873205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.873205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.873205 (E_RNA)
where:
Base-Base interactions energy: -26.892
where: short stacking energy: -25.816
Base-Backbone interact. energy: -0.028
local terms energy: -52.953289
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -73.588365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.588365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.588365 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.168
local terms energy: -43.893187
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -197.108176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.108176 (E_RNA)
where:
Base-Base interactions energy: -126.340
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.136
local terms energy: -70.632158
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.179
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -196.266879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.266879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.266879 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.009
local terms energy: -71.891738
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.449
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -200.400735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400735 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.091
local terms energy: -67.219508
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -196.713356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.713356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.713356 (E_RNA)
where:
Base-Base interactions energy: -120.818
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.177
local terms energy: -75.718068
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -158.671595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.671595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.671595 (E_RNA)
where:
Base-Base interactions energy: -91.296
where: short stacking energy: -49.428
Base-Backbone interact. energy: -0.014
local terms energy: -67.361434
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -99.770796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.770796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.770796 (E_RNA)
where:
Base-Base interactions energy: -42.980
where: short stacking energy: -35.528
Base-Backbone interact. energy: -0.112
local terms energy: -56.679019
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -87.889525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.889525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.889525 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.195
local terms energy: -50.673843
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -84.576850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.576850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.576850 (E_RNA)
where:
Base-Base interactions energy: -43.588
where: short stacking energy: -17.053
Base-Backbone interact. energy: -0.264
local terms energy: -40.725377
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: 4.886
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -81.182799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.182799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.182799 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -11.717
Base-Backbone interact. energy: -0.198
local terms energy: -43.294935
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: 2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -79.626510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.626510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.626510 (E_RNA)
where:
Base-Base interactions energy: -29.560
where: short stacking energy: -29.560
Base-Backbone interact. energy: -0.140
local terms energy: -49.926046
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -200.833168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.833168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.833168 (E_RNA)
where:
Base-Base interactions energy: -128.005
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.050
local terms energy: -72.779049
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -204.336137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.336137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.336137 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.011
local terms energy: -78.841007
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -195.250804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.250804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.250804 (E_RNA)
where:
Base-Base interactions energy: -117.562
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.284
local terms energy: -77.405076
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.195
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: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -193.372397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.372397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.372397 (E_RNA)
where:
Base-Base interactions energy: -117.459
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.000
local terms energy: -75.913219
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -17.295
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: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -147.395727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.395727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.395727 (E_RNA)
where:
Base-Base interactions energy: -87.325
where: short stacking energy: -46.656
Base-Backbone interact. energy: -0.105
local terms energy: -59.965605
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -11.620
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -123.240814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.240814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.240814 (E_RNA)
where:
Base-Base interactions energy: -76.104
where: short stacking energy: -41.931
Base-Backbone interact. energy: -0.100
local terms energy: -47.036296
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -7.384
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -80.112894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.112894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.112894 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -31.945
Base-Backbone interact. energy: 0.068
local terms energy: -47.795774
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -92.065863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.065863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.065863 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.289
local terms energy: -47.374660
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -7.850
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: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -96.589638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.589638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.589638 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.037
local terms energy: -59.800202
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -66.089061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.089061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.089061 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -19.399
Base-Backbone interact. energy: -0.573
local terms energy: -40.115299
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -211.138851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.138851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.138851 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.592
local terms energy: -75.235544
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -206.691518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.691518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.691518 (E_RNA)
where:
Base-Base interactions energy: -131.342
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.597
local terms energy: -74.752535
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -200.758821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758821 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.003
local terms energy: -71.198855
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -187.680002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.680002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.680002 (E_RNA)
where:
Base-Base interactions energy: -123.970
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.050
local terms energy: -63.659732
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -13.336
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: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -151.369966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.369966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.369966 (E_RNA)
where:
Base-Base interactions energy: -83.200
where: short stacking energy: -42.052
Base-Backbone interact. energy: 1.151
local terms energy: -69.320954
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -12.264
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: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -94.227467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.227467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.227467 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -29.222
Base-Backbone interact. energy: -0.122
local terms energy: -57.212283
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -5.995
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -94.970925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.970925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.970925 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -37.897
Base-Backbone interact. energy: -0.084
local terms energy: -56.990123
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -7.030
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: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -86.930366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.930366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.930366 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.018
local terms energy: -58.382200
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.438
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: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -87.771511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.771511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.771511 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -25.874
Base-Backbone interact. energy: 0.234
local terms energy: -59.328472
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -66.665611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.665611 (E_RNA)
where:
Base-Base interactions energy: -19.589
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.217
local terms energy: -46.859339
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: 0.320
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: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -209.404548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.404548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.404548 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.087
local terms energy: -85.561334
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -209.975957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.975957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.975957 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.127
local terms energy: -79.754546
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -191.456895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.456895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.456895 (E_RNA)
where:
Base-Base interactions energy: -118.178
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.001
local terms energy: -73.277462
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -17.543
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -200.621312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621312 (E_RNA)
where:
Base-Base interactions energy: -129.435
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.598
local terms energy: -70.588140
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -148.544251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.544251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.544251 (E_RNA)
where:
Base-Base interactions energy: -85.737
where: short stacking energy: -40.605
Base-Backbone interact. energy: -1.291
local terms energy: -61.515767
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -99.572174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.572174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.572174 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.023
local terms energy: -59.944757
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -76.771408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771408 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -26.484
Base-Backbone interact. energy: 0.039
local terms energy: -47.193806
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -83.758740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.758740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.758740 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.043
local terms energy: -46.025015
where:
bonds (distance) C4'-P energy: -5.938
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -1.838
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: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -73.169491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.169491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.169491 (E_RNA)
where:
Base-Base interactions energy: -21.897
where: short stacking energy: -20.123
Base-Backbone interact. energy: -0.109
local terms energy: -51.163342
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.632
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: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -73.177382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.177382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.177382 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -18.157
Base-Backbone interact. energy: -0.378
local terms energy: -41.589157
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: 5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -217.748720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748720 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.086
local terms energy: -86.493019
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -217.278365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.278365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.278365 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -61.546
Base-Backbone interact. energy: -0.009
local terms energy: -75.228587
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -200.595773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595773 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.003
local terms energy: -77.078775
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -21.950
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: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -183.981198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.981198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.981198 (E_RNA)
where:
Base-Base interactions energy: -112.484
where: short stacking energy: -48.479
Base-Backbone interact. energy: -0.433
local terms energy: -71.064312
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.322
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: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -143.610994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.610994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.610994 (E_RNA)
where:
Base-Base interactions energy: -86.232
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.103
local terms energy: -57.275614
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -10.598
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: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -97.366040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.366040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.366040 (E_RNA)
where:
Base-Base interactions energy: -43.445
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.197
local terms energy: -53.724065
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -89.049186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049186 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -25.520
Base-Backbone interact. energy: 0.238
local terms energy: -49.425345
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -77.624141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624141 (E_RNA)
where:
Base-Base interactions energy: -27.253
where: short stacking energy: -19.575
Base-Backbone interact. energy: -0.200
local terms energy: -50.171068
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -81.553259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553259 (E_RNA)
where:
Base-Base interactions energy: -25.753
where: short stacking energy: -24.026
Base-Backbone interact. energy: -1.740
local terms energy: -54.060225
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -73.346620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.346620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.346620 (E_RNA)
where:
Base-Base interactions energy: -16.736
where: short stacking energy: -16.736
Base-Backbone interact. energy: -0.237
local terms energy: -56.374177
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -213.442954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442954 (E_RNA)
where:
Base-Base interactions energy: -135.388
where: short stacking energy: -65.648
Base-Backbone interact. energy: 0.726
local terms energy: -78.780803
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -210.085574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.085574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085574 (E_RNA)
where:
Base-Base interactions energy: -137.826
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.309
local terms energy: -71.951228
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -208.710636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.710636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.710636 (E_RNA)
where:
Base-Base interactions energy: -147.595
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.125
local terms energy: -60.991134
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -20.943
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: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -161.379344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.379344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.379344 (E_RNA)
where:
Base-Base interactions energy: -88.842
where: short stacking energy: -47.954
Base-Backbone interact. energy: -0.323
local terms energy: -72.214414
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -13.390
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: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -196.465728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.465728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.465728 (E_RNA)
where:
Base-Base interactions energy: -124.721
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.195
local terms energy: -71.549681
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -101.151252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.151252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.151252 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.008
local terms energy: -59.904814
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -7.690
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: 155
Temperature: 1.200000
Total energy: -131.766812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.766812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.766812 (E_RNA)
where:
Base-Base interactions energy: -81.470
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.036
local terms energy: -50.260108
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.299
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: 155
Temperature: 1.250000
Total energy: -76.290919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.290919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.290919 (E_RNA)
where:
Base-Base interactions energy: -35.180
where: short stacking energy: -16.929
Base-Backbone interact. energy: -0.162
local terms energy: -40.948861
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: 3.938
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: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -78.098483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.098483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.098483 (E_RNA)
where:
Base-Base interactions energy: -24.813
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.027
local terms energy: -53.258543
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: 1.014
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -78.684390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684390 (E_RNA)
where:
Base-Base interactions energy: -26.733
where: short stacking energy: -26.733
Base-Backbone interact. energy: 0.943
local terms energy: -52.893839
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -219.144529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.144529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.144529 (E_RNA)
where:
Base-Base interactions energy: -145.331
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.020
local terms energy: -73.793247
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -211.954872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.954872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.954872 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.019
local terms energy: -71.057135
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -202.038077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.038077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.038077 (E_RNA)
where:
Base-Base interactions energy: -124.201
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.066
local terms energy: -77.770857
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.407
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -163.069679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.069679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.069679 (E_RNA)
where:
Base-Base interactions energy: -93.150
where: short stacking energy: -47.659
Base-Backbone interact. energy: -0.011
local terms energy: -69.909231
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -195.290321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.290321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.290321 (E_RNA)
where:
Base-Base interactions energy: -128.736
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.010
local terms energy: -66.544688
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -4.290
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: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -95.971540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971540 (E_RNA)
where:
Base-Base interactions energy: -38.533
where: short stacking energy: -38.533
Base-Backbone interact. energy: -0.212
local terms energy: -57.226501
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -6.952
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: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -137.589144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.589144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.589144 (E_RNA)
where:
Base-Base interactions energy: -75.035
where: short stacking energy: -37.711
Base-Backbone interact. energy: -0.020
local terms energy: -62.534176
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -11.128
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: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -99.495731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.495731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.495731 (E_RNA)
where:
Base-Base interactions energy: -50.382
where: short stacking energy: -34.332
Base-Backbone interact. energy: -0.969
local terms energy: -48.144893
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -75.775344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.775344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.775344 (E_RNA)
where:
Base-Base interactions energy: -18.991
where: short stacking energy: -18.126
Base-Backbone interact. energy: 0.846
local terms energy: -57.631004
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -69.994150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.994150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.994150 (E_RNA)
where:
Base-Base interactions energy: -25.583
where: short stacking energy: -18.767
Base-Backbone interact. energy: -0.032
local terms energy: -44.378884
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -3.472
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: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -224.510561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.510561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.510561 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.198
local terms energy: -76.000854
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -20.732
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: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -201.961644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.961644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.961644 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.115
local terms energy: -70.175444
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -18.230
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: 157
Temperature: 1.000000
Total energy: -191.191752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.191752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.191752 (E_RNA)
where:
Base-Base interactions energy: -115.041
where: short stacking energy: -52.992
Base-Backbone interact. energy: -1.015
local terms energy: -75.136403
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -14.953
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: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -200.415016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.415016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.415016 (E_RNA)
where:
Base-Base interactions energy: -125.528
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.047
local terms energy: -74.840971
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -146.541331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541331 (E_RNA)
where:
Base-Base interactions energy: -87.653
where: short stacking energy: -42.622
Base-Backbone interact. energy: -0.371
local terms energy: -58.517712
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -124.431954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.431954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.431954 (E_RNA)
where:
Base-Base interactions energy: -74.965
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.046
local terms energy: -49.420868
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -95.590709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.590709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.590709 (E_RNA)
where:
Base-Base interactions energy: -44.791
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.005
local terms energy: -50.794105
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -77.042370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.042370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.042370 (E_RNA)
where:
Base-Base interactions energy: -25.376
where: short stacking energy: -20.933
Base-Backbone interact. energy: -0.253
local terms energy: -51.413953
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -75.895621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.895621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.895621 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.036
local terms energy: -43.660804
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -6.015
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: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -73.720296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.720296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.720296 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -21.955
Base-Backbone interact. energy: -0.208
local terms energy: -42.610963
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -210.761597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.761597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.761597 (E_RNA)
where:
Base-Base interactions energy: -132.750
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.169
local terms energy: -77.842484
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.608
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: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -224.370605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.370605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.370605 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.000
local terms energy: -72.630996
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -191.683120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.683120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.683120 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -53.612
Base-Backbone interact. energy: -0.085
local terms energy: -72.659096
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -191.958175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.958175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.958175 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -57.806
Base-Backbone interact. energy: 0.694
local terms energy: -70.125112
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -163.118883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118883 (E_RNA)
where:
Base-Base interactions energy: -97.663
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.002
local terms energy: -65.454389
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -17.504
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -91.958914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958914 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -28.664
Base-Backbone interact. energy: -0.084
local terms energy: -54.542989
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -90.441174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.441174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.441174 (E_RNA)
where:
Base-Base interactions energy: -35.903
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.171
local terms energy: -54.366565
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -7.489
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -78.986217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.986217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.986217 (E_RNA)
where:
Base-Base interactions energy: -29.699
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.159
local terms energy: -49.127383
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.830
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: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.033529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.033529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.033529 (E_RNA)
where:
Base-Base interactions energy: -33.943
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.418
local terms energy: -50.672085
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -73.154851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.154851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.154851 (E_RNA)
where:
Base-Base interactions energy: -20.868
where: short stacking energy: -12.547
Base-Backbone interact. energy: -0.549
local terms energy: -51.737635
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -194.042328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.042328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.042328 (E_RNA)
where:
Base-Base interactions energy: -117.725
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.081
local terms energy: -76.236355
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -206.186996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.186996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186996 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -61.219
Base-Backbone interact. energy: -0.014
local terms energy: -69.476148
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -195.392192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.392192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.392192 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.015
local terms energy: -67.052692
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -205.749003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.749003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.749003 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -50.837
Base-Backbone interact. energy: -0.592
local terms energy: -74.318741
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -153.235271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.235271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.235271 (E_RNA)
where:
Base-Base interactions energy: -86.674
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.051
local terms energy: -66.510975
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -97.087028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.087028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.087028 (E_RNA)
where:
Base-Base interactions energy: -41.157
where: short stacking energy: -32.071
Base-Backbone interact. energy: -0.361
local terms energy: -55.569044
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -86.952773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952773 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -36.310
Base-Backbone interact. energy: 2.371
local terms energy: -53.013857
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -73.272391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.272391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.272391 (E_RNA)
where:
Base-Base interactions energy: -20.399
where: short stacking energy: -19.713
Base-Backbone interact. energy: -0.060
local terms energy: -52.813487
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: 0.626
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -105.197991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.197991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.197991 (E_RNA)
where:
Base-Base interactions energy: -49.239
where: short stacking energy: -20.205
Base-Backbone interact. energy: 0.179
local terms energy: -56.137603
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -10.798
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -89.622272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.622272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.622272 (E_RNA)
where:
Base-Base interactions energy: -43.199
where: short stacking energy: -26.987
Base-Backbone interact. energy: 1.644
local terms energy: -48.067203
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: 2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -214.371851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.371851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.371851 (E_RNA)
where:
Base-Base interactions energy: -133.320
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.049
local terms energy: -81.002602
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -200.858587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.858587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.858587 (E_RNA)
where:
Base-Base interactions energy: -126.413
where: short stacking energy: -57.755
Base-Backbone interact. energy: -1.075
local terms energy: -73.370584
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -17.470
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: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -204.233493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.233493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.233493 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.006
local terms energy: -76.650355
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -183.153136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.153136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.153136 (E_RNA)
where:
Base-Base interactions energy: -112.003
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.090
local terms energy: -71.059686
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.684
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: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -157.002929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.002929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.002929 (E_RNA)
where:
Base-Base interactions energy: -89.360
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.018
local terms energy: -67.624765
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -10.923
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: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -91.656138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.656138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.656138 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.796
local terms energy: -48.012574
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -81.516876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516876 (E_RNA)
where:
Base-Base interactions energy: -30.953
where: short stacking energy: -24.033
Base-Backbone interact. energy: -0.284
local terms energy: -50.280292
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.662
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: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -81.149611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.149611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.149611 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -25.835
Base-Backbone interact. energy: -0.153
local terms energy: -46.927494
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -80.145381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145381 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.123
local terms energy: -50.719647
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -69.650179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.650179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.650179 (E_RNA)
where:
Base-Base interactions energy: -25.387
where: short stacking energy: -14.254
Base-Backbone interact. energy: 0.202
local terms energy: -44.464313
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -2.389
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: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -210.407487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.407487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.407487 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.010
local terms energy: -74.822383
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -210.671203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.671203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.671203 (E_RNA)
where:
Base-Base interactions energy: -136.700
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.029
local terms energy: -73.941989
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -188.708599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.708599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.708599 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -65.230
Base-Backbone interact. energy: 0.993
local terms energy: -63.854502
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.619
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: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -195.712525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.712525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.712525 (E_RNA)
where:
Base-Base interactions energy: -128.222
where: short stacking energy: -52.356
Base-Backbone interact. energy: 0.275
local terms energy: -67.765660
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -150.601922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.601922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.601922 (E_RNA)
where:
Base-Base interactions energy: -82.078
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.142
local terms energy: -68.382020
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -136.348446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.348446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.348446 (E_RNA)
where:
Base-Base interactions energy: -78.583
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.259
local terms energy: -57.506448
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -6.534
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: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -82.362195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.362195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.362195 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -23.823
Base-Backbone interact. energy: -0.239
local terms energy: -52.209690
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -98.992721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.992721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.992721 (E_RNA)
where:
Base-Base interactions energy: -37.362
where: short stacking energy: -37.020
Base-Backbone interact. energy: 0.459
local terms energy: -62.089087
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -77.953632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.953632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.953632 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -15.595
Base-Backbone interact. energy: -1.816
local terms energy: -50.703372
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -78.593823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593823 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.020
local terms energy: -46.826311
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -8.592
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: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -210.795477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.795477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.795477 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.002
local terms energy: -78.069811
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -21.632
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: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -205.498079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.498079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.498079 (E_RNA)
where:
Base-Base interactions energy: -122.178
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.562
local terms energy: -82.757760
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -183.042554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.042554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.042554 (E_RNA)
where:
Base-Base interactions energy: -115.137
where: short stacking energy: -59.224
Base-Backbone interact. energy: 0.180
local terms energy: -68.085576
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -10.653
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: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -190.455152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.455152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.455152 (E_RNA)
where:
Base-Base interactions energy: -120.422
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.656
local terms energy: -69.377571
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -143.241960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.241960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.241960 (E_RNA)
where:
Base-Base interactions energy: -80.312
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.297
local terms energy: -62.632077
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -136.847054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.847054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.847054 (E_RNA)
where:
Base-Base interactions energy: -71.218
where: short stacking energy: -43.843
Base-Backbone interact. energy: -0.454
local terms energy: -65.175534
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -13.010
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -92.072317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072317 (E_RNA)
where:
Base-Base interactions energy: -43.290
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.268
local terms energy: -48.513966
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -2.704
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: 162
Temperature: 1.250000
Total energy: -80.946386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.946386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.946386 (E_RNA)
where:
Base-Base interactions energy: -28.572
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.194
local terms energy: -52.180041
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -74.582052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.582052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.582052 (E_RNA)
where:
Base-Base interactions energy: -20.460
where: short stacking energy: -12.956
Base-Backbone interact. energy: -0.013
local terms energy: -54.108393
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -71.375349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.375349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.375349 (E_RNA)
where:
Base-Base interactions energy: -24.652
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.118
local terms energy: -46.605378
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -220.355001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.355001 (E_RNA)
where:
Base-Base interactions energy: -136.484
where: short stacking energy: -71.896
Base-Backbone interact. energy: -0.004
local terms energy: -83.866817
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -205.196690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.196690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196690 (E_RNA)
where:
Base-Base interactions energy: -133.189
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.012
local terms energy: -71.995885
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -17.923
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: 163
Temperature: 1.000000
Total energy: -204.204903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.204903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.204903 (E_RNA)
where:
Base-Base interactions energy: -126.361
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.001
local terms energy: -77.842882
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -19.879
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: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -150.453944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.453944 (E_RNA)
where:
Base-Base interactions energy: -86.682
where: short stacking energy: -35.171
Base-Backbone interact. energy: -0.205
local terms energy: -63.566644
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -7.679
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: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -171.604902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.604902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.604902 (E_RNA)
where:
Base-Base interactions energy: -110.681
where: short stacking energy: -52.962
Base-Backbone interact. energy: 1.157
local terms energy: -62.081070
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.684
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: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -160.462091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.462091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.462091 (E_RNA)
where:
Base-Base interactions energy: -101.566
where: short stacking energy: -53.597
Base-Backbone interact. energy: -0.350
local terms energy: -58.545710
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -96.761725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.761725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.761725 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.087
local terms energy: -57.550635
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -86.262257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262257 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -25.496
Base-Backbone interact. energy: -1.191
local terms energy: -49.898728
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -66.395762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.395762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.395762 (E_RNA)
where:
Base-Base interactions energy: -20.814
where: short stacking energy: -20.814
Base-Backbone interact. energy: -0.118
local terms energy: -45.463229
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -0.922
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: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -67.965968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.965968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.965968 (E_RNA)
where:
Base-Base interactions energy: -21.806
where: short stacking energy: -21.806
Base-Backbone interact. energy: -0.136
local terms energy: -46.024505
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -6.479
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: 164
Temperature: 0.900000
Total energy: -207.794478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.794478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.794478 (E_RNA)
where:
Base-Base interactions energy: -139.770
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.005
local terms energy: -68.020017
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -207.973882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.973882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.973882 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.001
local terms energy: -77.098542
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -19.673
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: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -172.205069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.205069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.205069 (E_RNA)
where:
Base-Base interactions energy: -99.212
where: short stacking energy: -50.964
Base-Backbone interact. energy: -0.011
local terms energy: -72.981630
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.651
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: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -196.653615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.653615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.653615 (E_RNA)
where:
Base-Base interactions energy: -119.473
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.004
local terms energy: -77.176506
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.977
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: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -154.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.821881 (E_RNA)
where:
Base-Base interactions energy: -95.658
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.054
local terms energy: -59.109706
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.939
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: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -164.911643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.911643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.911643 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -52.166
Base-Backbone interact. energy: -0.062
local terms energy: -55.947423
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -92.991287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991287 (E_RNA)
where:
Base-Base interactions energy: -42.798
where: short stacking energy: -26.088
Base-Backbone interact. energy: 0.306
local terms energy: -50.499443
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -6.561
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: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -93.157407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157407 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -22.794
Base-Backbone interact. energy: -0.966
local terms energy: -57.297537
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -77.385750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.385750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.385750 (E_RNA)
where:
Base-Base interactions energy: -26.087
where: short stacking energy: -23.482
Base-Backbone interact. energy: 0.013
local terms energy: -51.311502
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -73.139436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.139436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.139436 (E_RNA)
where:
Base-Base interactions energy: -24.115
where: short stacking energy: -13.837
Base-Backbone interact. energy: -0.447
local terms energy: -48.577758
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -2.374
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: 165
Temperature: 0.900000
Total energy: -214.319778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.319778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.319778 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -71.158
Base-Backbone interact. energy: -0.139
local terms energy: -73.985059
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -205.608690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608690 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.003
local terms energy: -71.490720
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.066
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -160.904217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.904217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.904217 (E_RNA)
where:
Base-Base interactions energy: -100.404
where: short stacking energy: -50.764
Base-Backbone interact. energy: 0.390
local terms energy: -60.890521
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -193.917925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.917925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.917925 (E_RNA)
where:
Base-Base interactions energy: -117.968
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.011
local terms energy: -75.939355
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.885
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: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -142.727195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.727195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.727195 (E_RNA)
where:
Base-Base interactions energy: -73.584
where: short stacking energy: -32.375
Base-Backbone interact. energy: 0.763
local terms energy: -69.906627
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -160.105207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.105207 (E_RNA)
where:
Base-Base interactions energy: -93.875
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.699
local terms energy: -65.531120
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.009
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -99.461753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.461753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.461753 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.098
local terms energy: -60.009274
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.203
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -75.434970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.434970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.434970 (E_RNA)
where:
Base-Base interactions energy: -26.008
where: short stacking energy: -15.046
Base-Backbone interact. energy: -0.195
local terms energy: -49.231574
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -82.553769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.553769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.553769 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -17.429
Base-Backbone interact. energy: -0.151
local terms energy: -49.213266
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.154
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: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -74.409937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.409937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.409937 (E_RNA)
where:
Base-Base interactions energy: -23.327
where: short stacking energy: -17.685
Base-Backbone interact. energy: -0.199
local terms energy: -50.883555
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -206.111617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.111617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111617 (E_RNA)
where:
Base-Base interactions energy: -127.821
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.003
local terms energy: -78.288199
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -18.822
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: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -208.729933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.729933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.729933 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -71.903
Base-Backbone interact. energy: -0.100
local terms energy: -76.353066
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -194.416381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.416381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.416381 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.007
local terms energy: -76.893604
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -16.982
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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -158.525859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.525859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.525859 (E_RNA)
where:
Base-Base interactions energy: -92.233
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.014
local terms energy: -66.279659
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -6.078
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -167.332023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.332023 (E_RNA)
where:
Base-Base interactions energy: -97.375
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.310
local terms energy: -69.646849
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -137.800897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.800897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.800897 (E_RNA)
where:
Base-Base interactions energy: -83.046
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.127
local terms energy: -54.627714
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -7.754
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: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -89.897814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.897814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.897814 (E_RNA)
where:
Base-Base interactions energy: -46.629
where: short stacking energy: -25.911
Base-Backbone interact. energy: 0.126
local terms energy: -43.394155
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -8.446
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: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.209613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.209613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.209613 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -19.783
Base-Backbone interact. energy: -0.056
local terms energy: -53.397816
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -70.993661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.993661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.993661 (E_RNA)
where:
Base-Base interactions energy: -24.327
where: short stacking energy: -21.842
Base-Backbone interact. energy: -0.511
local terms energy: -46.155453
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -6.374
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -82.275795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.275795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.275795 (E_RNA)
where:
Base-Base interactions energy: -28.477
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.140
local terms energy: -53.658875
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -206.880888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.880888 (E_RNA)
where:
Base-Base interactions energy: -127.047
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.097
local terms energy: -79.736755
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -206.809158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.809158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.809158 (E_RNA)
where:
Base-Base interactions energy: -129.395
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.007
local terms energy: -77.406502
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.899
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: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -203.189446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.189446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.189446 (E_RNA)
where:
Base-Base interactions energy: -123.486
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.005
local terms energy: -79.698924
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -175.555498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.555498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.555498 (E_RNA)
where:
Base-Base interactions energy: -117.164
where: short stacking energy: -50.550
Base-Backbone interact. energy: 0.239
local terms energy: -58.630509
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -140.555206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.555206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.555206 (E_RNA)
where:
Base-Base interactions energy: -75.608
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.159
local terms energy: -64.788220
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -7.717
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: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -88.436490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436490 (E_RNA)
where:
Base-Base interactions energy: -34.915
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.180
local terms energy: -53.342074
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -4.423
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: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -136.817600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.817600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.817600 (E_RNA)
where:
Base-Base interactions energy: -82.110
where: short stacking energy: -36.698
Base-Backbone interact. energy: -0.098
local terms energy: -54.609989
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -74.330070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.330070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.330070 (E_RNA)
where:
Base-Base interactions energy: -21.743
where: short stacking energy: -18.281
Base-Backbone interact. energy: -0.335
local terms energy: -52.251716
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -79.714265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714265 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -24.793
Base-Backbone interact. energy: -0.410
local terms energy: -52.224201
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -65.740289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.740289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.740289 (E_RNA)
where:
Base-Base interactions energy: -18.385
where: short stacking energy: -14.977
Base-Backbone interact. energy: -1.835
local terms energy: -45.520856
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -210.644175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644175 (E_RNA)
where:
Base-Base interactions energy: -130.834
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.807
local terms energy: -79.002903
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.469
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: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -205.874359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874359 (E_RNA)
where:
Base-Base interactions energy: -134.216
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.577
local terms energy: -71.081460
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -4.731
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -190.546146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.546146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.546146 (E_RNA)
where:
Base-Base interactions energy: -124.819
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.264
local terms energy: -65.463135
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.420
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: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -192.254770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.254770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.254770 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.678
local terms energy: -70.880455
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -18.235
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: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -144.217774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.217774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.217774 (E_RNA)
where:
Base-Base interactions energy: -83.413
where: short stacking energy: -38.552
Base-Backbone interact. energy: -1.110
local terms energy: -59.694415
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -8.216
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: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -85.138567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.138567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.138567 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -22.856
Base-Backbone interact. energy: 0.474
local terms energy: -46.570492
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -130.486127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.486127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.486127 (E_RNA)
where:
Base-Base interactions energy: -74.069
where: short stacking energy: -25.212
Base-Backbone interact. energy: -0.487
local terms energy: -55.930317
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -76.412245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.412245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.412245 (E_RNA)
where:
Base-Base interactions energy: -28.633
where: short stacking energy: -17.688
Base-Backbone interact. energy: -0.100
local terms energy: -47.678741
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -70.212736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.212736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.212736 (E_RNA)
where:
Base-Base interactions energy: -18.915
where: short stacking energy: -14.154
Base-Backbone interact. energy: -0.504
local terms energy: -50.793742
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -7.025
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -70.307282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.307282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.307282 (E_RNA)
where:
Base-Base interactions energy: -20.425
where: short stacking energy: -15.494
Base-Backbone interact. energy: -0.687
local terms energy: -49.195222
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -204.896418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.896418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.896418 (E_RNA)
where:
Base-Base interactions energy: -132.280
where: short stacking energy: -61.769
Base-Backbone interact. energy: -1.153
local terms energy: -71.463341
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -210.858775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.858775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.858775 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.037
local terms energy: -75.451405
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -7.685
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -207.929089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929089 (E_RNA)
where:
Base-Base interactions energy: -139.740
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.470
local terms energy: -67.718785
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -197.592297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.592297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.592297 (E_RNA)
where:
Base-Base interactions energy: -117.750
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.037
local terms energy: -79.805118
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -140.763990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.763990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.763990 (E_RNA)
where:
Base-Base interactions energy: -79.367
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.051
local terms energy: -61.345833
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -11.052
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: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -156.790449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.790449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.790449 (E_RNA)
where:
Base-Base interactions energy: -91.323
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.143
local terms energy: -65.324171
where:
bonds (distance) C4'-P energy: -8.437
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -14.522
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: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -104.206221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.206221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.206221 (E_RNA)
where:
Base-Base interactions energy: -59.141
where: short stacking energy: -39.935
Base-Backbone interact. energy: 7.656
local terms energy: -52.721193
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -5.371
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: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -83.078093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.078093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.078093 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.150
local terms energy: -54.871078
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -77.767472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.767472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.767472 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -25.492
Base-Backbone interact. energy: 0.068
local terms energy: -52.343364
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -4.560
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: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.306466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306466 (E_RNA)
where:
Base-Base interactions energy: -25.704
where: short stacking energy: -25.704
Base-Backbone interact. energy: 0.185
local terms energy: -51.787652
where:
bonds (distance) C4'-P energy: -5.925
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.075
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: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -213.051349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.051349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.051349 (E_RNA)
where:
Base-Base interactions energy: -136.129
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.106
local terms energy: -76.816523
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -191.865162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.865162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.865162 (E_RNA)
where:
Base-Base interactions energy: -128.309
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.762
local terms energy: -62.794560
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -3.769
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: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -203.946736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.946736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.946736 (E_RNA)
where:
Base-Base interactions energy: -132.649
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.002
local terms energy: -71.295290
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -7.503
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -19.139
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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -203.827611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.827611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.827611 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -59.928
Base-Backbone interact. energy: -0.680
local terms energy: -73.636266
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -18.914
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: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -158.452454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.452454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.452454 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.118
local terms energy: -59.937510
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -149.303355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.303355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.303355 (E_RNA)
where:
Base-Base interactions energy: -92.621
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.119
local terms energy: -56.563508
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -16.567
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: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -79.669482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.669482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.669482 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -27.535
Base-Backbone interact. energy: 0.744
local terms energy: -52.779346
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -88.400865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.400865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.400865 (E_RNA)
where:
Base-Base interactions energy: -42.674
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.125
local terms energy: -45.602676
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -3.172
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: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -71.071403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.071403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.071403 (E_RNA)
where:
Base-Base interactions energy: -24.989
where: short stacking energy: -20.063
Base-Backbone interact. energy: -0.446
local terms energy: -45.637335
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -7.665
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -74.636950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.636950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.636950 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -26.480
Base-Backbone interact. energy: 0.794
local terms energy: -46.914817
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -214.040644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.040644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.040644 (E_RNA)
where:
Base-Base interactions energy: -132.520
where: short stacking energy: -64.502
Base-Backbone interact. energy: -0.007
local terms energy: -81.513497
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -202.122906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.122906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.122906 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.007
local terms energy: -76.478817
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.102
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -188.446052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.446052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.446052 (E_RNA)
where:
Base-Base interactions energy: -121.409
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.321
local terms energy: -66.716172
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.469
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: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -199.316513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.316513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.316513 (E_RNA)
where:
Base-Base interactions energy: -115.952
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.031
local terms energy: -83.333574
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -167.999929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.999929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.999929 (E_RNA)
where:
Base-Base interactions energy: -104.453
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.027
local terms energy: -63.520747
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -76.991462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991462 (E_RNA)
where:
Base-Base interactions energy: -21.575
where: short stacking energy: -18.284
Base-Backbone interact. energy: -0.274
local terms energy: -55.142705
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 0.046
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: 171
Temperature: 1.200000
Total energy: -143.984307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.984307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.984307 (E_RNA)
where:
Base-Base interactions energy: -86.507
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.178
local terms energy: -57.299248
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -14.203
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: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -86.850800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850800 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.227
local terms energy: -49.054438
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.632285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632285 (E_RNA)
where:
Base-Base interactions energy: -28.768
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.104
local terms energy: -51.759871
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: 2.414
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: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -78.104171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.104171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.104171 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -25.371
Base-Backbone interact. energy: -0.481
local terms energy: -44.250260
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -198.677277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677277 (E_RNA)
where:
Base-Base interactions energy: -125.901
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.436
local terms energy: -72.340434
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -211.129548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.129548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.129548 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.011
local terms energy: -67.109252
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -16.313
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: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -196.453329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.453329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.453329 (E_RNA)
where:
Base-Base interactions energy: -125.325
where: short stacking energy: -54.248
Base-Backbone interact. energy: -0.065
local terms energy: -71.063354
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -183.169206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.169206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.169206 (E_RNA)
where:
Base-Base interactions energy: -119.977
where: short stacking energy: -43.196
Base-Backbone interact. energy: -0.226
local terms energy: -62.966055
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -13.128
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -150.002366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.002366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.002366 (E_RNA)
where:
Base-Base interactions energy: -91.288
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.232
local terms energy: -58.482769
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -78.784608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.784608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.784608 (E_RNA)
where:
Base-Base interactions energy: -28.288
where: short stacking energy: -17.567
Base-Backbone interact. energy: -0.196
local terms energy: -50.300134
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -93.093792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.093792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.093792 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -31.755
Base-Backbone interact. energy: 0.802
local terms energy: -62.140625
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -8.801
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: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -89.573151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573151 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.199
local terms energy: -47.576886
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -69.299355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.299355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.299355 (E_RNA)
where:
Base-Base interactions energy: -22.568
where: short stacking energy: -20.396
Base-Backbone interact. energy: -0.248
local terms energy: -46.483476
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -77.735425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735425 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.329
local terms energy: -50.572512
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -204.613437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.613437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613437 (E_RNA)
where:
Base-Base interactions energy: -132.886
where: short stacking energy: -67.491
Base-Backbone interact. energy: -0.018
local terms energy: -71.709726
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -205.847143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.847143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.847143 (E_RNA)
where:
Base-Base interactions energy: -128.696
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.002
local terms energy: -77.149216
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -206.213459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.213459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.213459 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.102
local terms energy: -72.769024
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -18.565
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -192.055404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.055404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.055404 (E_RNA)
where:
Base-Base interactions energy: -115.166
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.373
local terms energy: -76.516351
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.416
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: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -149.587018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.587018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.587018 (E_RNA)
where:
Base-Base interactions energy: -90.529
where: short stacking energy: -34.965
Base-Backbone interact. energy: -0.853
local terms energy: -58.204668
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -94.928739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.928739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.928739 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -33.355
Base-Backbone interact. energy: -0.033
local terms energy: -61.540806
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -105.769008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.769008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.769008 (E_RNA)
where:
Base-Base interactions energy: -54.923
where: short stacking energy: -24.540
Base-Backbone interact. energy: 0.138
local terms energy: -50.983739
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -84.066095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066095 (E_RNA)
where:
Base-Base interactions energy: -28.073
where: short stacking energy: -28.073
Base-Backbone interact. energy: -0.063
local terms energy: -55.929880
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -6.081
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: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -78.766756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.766756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.766756 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -20.765
Base-Backbone interact. energy: -0.156
local terms energy: -51.479688
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -73.392418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.392418 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -18.932
Base-Backbone interact. energy: -0.964
local terms energy: -43.361195
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -0.051
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -207.445111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.445111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445111 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.097
local terms energy: -78.131525
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -199.194112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194112 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.072
local terms energy: -75.309146
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -197.263719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.263719 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.067
local terms energy: -73.193051
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.381
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -197.110594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.110594 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.049
local terms energy: -71.866943
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -163.117746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.117746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.117746 (E_RNA)
where:
Base-Base interactions energy: -92.419
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.746
local terms energy: -69.952334
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -106.606619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.606619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.606619 (E_RNA)
where:
Base-Base interactions energy: -52.776
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.085
local terms energy: -53.744876
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -3.676
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: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -101.905671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.905671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.905671 (E_RNA)
where:
Base-Base interactions energy: -41.783
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.192
local terms energy: -59.930632
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.825
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -81.668575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668575 (E_RNA)
where:
Base-Base interactions energy: -37.212
where: short stacking energy: -17.663
Base-Backbone interact. energy: -0.408
local terms energy: -44.047900
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -71.820860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.820860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.820860 (E_RNA)
where:
Base-Base interactions energy: -27.581
where: short stacking energy: -23.333
Base-Backbone interact. energy: 0.245
local terms energy: -44.484594
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -2.676
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -72.206413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.206413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.206413 (E_RNA)
where:
Base-Base interactions energy: -28.979
where: short stacking energy: -18.171
Base-Backbone interact. energy: -0.563
local terms energy: -42.663776
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -203.698695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.698695 (E_RNA)
where:
Base-Base interactions energy: -127.697
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.557
local terms energy: -75.444222
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -7.580
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: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -198.754493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754493 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.678
local terms energy: -69.879639
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -204.140187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140187 (E_RNA)
where:
Base-Base interactions energy: -129.293
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.578
local terms energy: -74.268878
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -184.341587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.341587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.341587 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.090
local terms energy: -67.520944
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.952
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: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -142.719768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.719768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.719768 (E_RNA)
where:
Base-Base interactions energy: -84.768
where: short stacking energy: -44.861
Base-Backbone interact. energy: -0.222
local terms energy: -57.729801
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -90.671785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.671785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.671785 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.090
local terms energy: -53.484147
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -5.589
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -94.381282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.381282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.381282 (E_RNA)
where:
Base-Base interactions energy: -40.492
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.032
local terms energy: -53.857164
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -6.965
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: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -83.564083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564083 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.081
local terms energy: -54.813127
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -77.699360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.699360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.699360 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -30.594
Base-Backbone interact. energy: 3.166
local terms energy: -49.472368
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.291
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: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -80.457071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457071 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -22.073
Base-Backbone interact. energy: -0.260
local terms energy: -48.684070
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.339
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: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -199.857268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857268 (E_RNA)
where:
Base-Base interactions energy: -123.524
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.155
local terms energy: -76.178006
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -197.278109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278109 (E_RNA)
where:
Base-Base interactions energy: -121.835
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.005
local terms energy: -75.438008
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.565
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: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -200.756775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756775 (E_RNA)
where:
Base-Base interactions energy: -121.129
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.183
local terms energy: -79.444588
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.307
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: 176
Temperature: 1.050000
Total energy: -194.097694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.097694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.097694 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.117
local terms energy: -74.147249
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -21.089
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: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -161.330058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.330058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.330058 (E_RNA)
where:
Base-Base interactions energy: -90.721
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.049
local terms energy: -70.559869
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -107.526130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.526130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.526130 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -34.849
Base-Backbone interact. energy: 0.812
local terms energy: -61.079871
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.949
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: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -85.143748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.143748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.143748 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.228
local terms energy: -50.332452
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -81.037912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.037912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.037912 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -22.286
Base-Backbone interact. energy: -0.128
local terms energy: -48.142258
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 1.859
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -84.700374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.700374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.700374 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -32.555
Base-Backbone interact. energy: 0.078
local terms energy: -49.759460
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.639051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.639051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.639051 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -38.044
Base-Backbone interact. energy: -0.059
local terms energy: -43.535986
where:
bonds (distance) C4'-P energy: -7.003
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -4.129
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: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -202.896643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.896643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.896643 (E_RNA)
where:
Base-Base interactions energy: -129.468
where: short stacking energy: -57.902
Base-Backbone interact. energy: -1.067
local terms energy: -72.361956
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -16.439
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: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -190.330730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.330730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.330730 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -56.861
Base-Backbone interact. energy: -0.003
local terms energy: -68.671324
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -200.004345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.004345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.004345 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.075
local terms energy: -71.743651
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.935
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -183.227522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.227522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.227522 (E_RNA)
where:
Base-Base interactions energy: -118.540
where: short stacking energy: -51.922
Base-Backbone interact. energy: -0.556
local terms energy: -64.132189
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -13.436
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -164.913985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.913985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.913985 (E_RNA)
where:
Base-Base interactions energy: -94.616
where: short stacking energy: -46.334
Base-Backbone interact. energy: -0.091
local terms energy: -70.206533
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -94.700303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.700303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.700303 (E_RNA)
where:
Base-Base interactions energy: -45.970
where: short stacking energy: -28.822
Base-Backbone interact. energy: 1.045
local terms energy: -49.775401
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -4.940
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: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -84.500117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500117 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -30.145
Base-Backbone interact. energy: -2.040
local terms energy: -48.192594
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -74.505778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.505778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.505778 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -23.272
Base-Backbone interact. energy: -0.351
local terms energy: -48.096102
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -71.921265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.921265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.921265 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -14.408
Base-Backbone interact. energy: 0.301
local terms energy: -43.481725
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: 4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -73.891209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.891209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.891209 (E_RNA)
where:
Base-Base interactions energy: -27.513
where: short stacking energy: -21.292
Base-Backbone interact. energy: -0.237
local terms energy: -46.141085
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -210.414512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.414512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.414512 (E_RNA)
where:
Base-Base interactions energy: -134.488
where: short stacking energy: -64.524
Base-Backbone interact. energy: -1.764
local terms energy: -74.162100
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -205.384662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384662 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.165
local terms energy: -75.422596
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -202.665788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.665788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.665788 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.030
local terms energy: -77.276428
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -182.132115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.132115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.132115 (E_RNA)
where:
Base-Base interactions energy: -115.334
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.006
local terms energy: -66.792752
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.112
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -156.876193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.876193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.876193 (E_RNA)
where:
Base-Base interactions energy: -95.925
where: short stacking energy: -46.685
Base-Backbone interact. energy: -0.612
local terms energy: -60.338953
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -13.965
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -108.114095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.114095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.114095 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.014
local terms energy: -60.092879
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -11.552
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: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -97.383524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.383524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.383524 (E_RNA)
where:
Base-Base interactions energy: -41.686
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.020
local terms energy: -55.677258
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.013
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -76.186821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.186821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.186821 (E_RNA)
where:
Base-Base interactions energy: -25.926
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.084
local terms energy: -50.176512
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -2.568
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: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -72.809074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.809074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.809074 (E_RNA)
where:
Base-Base interactions energy: -21.514
where: short stacking energy: -15.527
Base-Backbone interact. energy: -1.199
local terms energy: -50.096027
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -67.141319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.141319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.141319 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -23.496
Base-Backbone interact. energy: -0.611
local terms energy: -39.335981
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: 1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -210.435891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.435891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435891 (E_RNA)
where:
Base-Base interactions energy: -129.719
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.029
local terms energy: -80.687873
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -12.412
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: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -204.257320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.257320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.257320 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.096
local terms energy: -70.291322
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -194.733697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733697 (E_RNA)
where:
Base-Base interactions energy: -122.737
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.018
local terms energy: -71.978595
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -192.619923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.619923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.619923 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.161
local terms energy: -68.873815
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.225
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: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -164.323410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.323410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.323410 (E_RNA)
where:
Base-Base interactions energy: -94.107
where: short stacking energy: -41.922
Base-Backbone interact. energy: -0.009
local terms energy: -70.207492
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -84.142442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142442 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.063
local terms energy: -53.002138
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -102.726682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.726682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.726682 (E_RNA)
where:
Base-Base interactions energy: -48.501
where: short stacking energy: -27.858
Base-Backbone interact. energy: 1.006
local terms energy: -55.231157
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -79.810285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.810285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.810285 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -24.829
Base-Backbone interact. energy: 0.406
local terms energy: -46.354008
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -71.323731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.323731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.323731 (E_RNA)
where:
Base-Base interactions energy: -25.663
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.344
local terms energy: -45.316145
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: 1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -69.955386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.955386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.955386 (E_RNA)
where:
Base-Base interactions energy: -26.237
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.073
local terms energy: -43.646054
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.977
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: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -223.495040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.495040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.495040 (E_RNA)
where:
Base-Base interactions energy: -147.351
where: short stacking energy: -71.114
Base-Backbone interact. energy: -0.003
local terms energy: -76.141739
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -211.405524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405524 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.658
local terms energy: -74.051956
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -20.180
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -203.299874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.299874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.299874 (E_RNA)
where:
Base-Base interactions energy: -126.982
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.018
local terms energy: -76.300279
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -203.896024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.896024 (E_RNA)
where:
Base-Base interactions energy: -129.647
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.354
local terms energy: -73.895237
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -165.893152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.893152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.893152 (E_RNA)
where:
Base-Base interactions energy: -101.840
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.094
local terms energy: -63.959590
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -11.923
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: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -81.452195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.452195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.452195 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -22.654
Base-Backbone interact. energy: -0.091
local terms energy: -53.207519
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -75.369999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.369999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.369999 (E_RNA)
where:
Base-Base interactions energy: -25.719
where: short stacking energy: -25.719
Base-Backbone interact. energy: 0.224
local terms energy: -49.875497
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -83.834969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.834969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.834969 (E_RNA)
where:
Base-Base interactions energy: -28.539
where: short stacking energy: -16.935
Base-Backbone interact. energy: -0.292
local terms energy: -55.003546
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -74.024088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.024088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.024088 (E_RNA)
where:
Base-Base interactions energy: -24.216
where: short stacking energy: -19.379
Base-Backbone interact. energy: -0.161
local terms energy: -49.647287
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -71.613682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.613682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.613682 (E_RNA)
where:
Base-Base interactions energy: -27.124
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.081
local terms energy: -44.408330
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -2.616
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: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -225.165804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.165804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.165804 (E_RNA)
where:
Base-Base interactions energy: -148.352
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.013
local terms energy: -76.801143
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -21.151
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: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -199.080603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.080603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.080603 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.004
local terms energy: -73.263440
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -18.535
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -198.463013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.463013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.463013 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.180
local terms energy: -75.218554
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.102
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: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -198.770308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.770308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.770308 (E_RNA)
where:
Base-Base interactions energy: -124.371
where: short stacking energy: -54.807
Base-Backbone interact. energy: -0.002
local terms energy: -74.397852
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -17.457
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: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -176.442850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.442850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.442850 (E_RNA)
where:
Base-Base interactions energy: -113.358
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.022
local terms energy: -63.063341
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -94.554783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.554783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.554783 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.157
local terms energy: -59.446603
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -111.111643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.111643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.111643 (E_RNA)
where:
Base-Base interactions energy: -64.787
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.371
local terms energy: -45.953115
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.168
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: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -78.520791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.520791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.520791 (E_RNA)
where:
Base-Base interactions energy: -23.691
where: short stacking energy: -23.691
Base-Backbone interact. energy: -0.010
local terms energy: -54.820336
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -77.652529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652529 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -29.081
Base-Backbone interact. energy: 0.831
local terms energy: -47.902839
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -7.907
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: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -66.908078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.908078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.908078 (E_RNA)
where:
Base-Base interactions energy: -20.632
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.065
local terms energy: -46.210978
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -210.946531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.946531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.946531 (E_RNA)
where:
Base-Base interactions energy: -129.594
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.004
local terms energy: -81.348972
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -17.224
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: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -211.504708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.504708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.504708 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.036
local terms energy: -83.374490
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -209.627858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.627858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.627858 (E_RNA)
where:
Base-Base interactions energy: -133.817
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.001
local terms energy: -75.809919
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.210
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -194.809566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.809566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.809566 (E_RNA)
where:
Base-Base interactions energy: -126.739
where: short stacking energy: -58.028
Base-Backbone interact. energy: -0.495
local terms energy: -67.575545
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -161.079706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.079706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.079706 (E_RNA)
where:
Base-Base interactions energy: -97.434
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.369
local terms energy: -63.277206
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -11.309
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: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -89.350492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.350492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.350492 (E_RNA)
where:
Base-Base interactions energy: -30.377
where: short stacking energy: -28.280
Base-Backbone interact. energy: 0.335
local terms energy: -59.308294
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -73.492338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.492338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.492338 (E_RNA)
where:
Base-Base interactions energy: -22.833
where: short stacking energy: -22.737
Base-Backbone interact. energy: -0.117
local terms energy: -50.542402
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -5.583
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: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -76.580543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.580543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.580543 (E_RNA)
where:
Base-Base interactions energy: -31.153
where: short stacking energy: -27.210
Base-Backbone interact. energy: -0.449
local terms energy: -44.979253
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -11.373
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -94.545132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545132 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -37.736
Base-Backbone interact. energy: 0.173
local terms energy: -56.558256
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -9.852
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: 182
Temperature: 1.350000
Total energy: -75.129236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129236 (E_RNA)
where:
Base-Base interactions energy: -23.846
where: short stacking energy: -24.046
Base-Backbone interact. energy: -0.061
local terms energy: -51.222878
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -1.582
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: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -214.739283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.739283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.739283 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -70.923
Base-Backbone interact. energy: -0.122
local terms energy: -77.637561
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -199.858324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.858324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.858324 (E_RNA)
where:
Base-Base interactions energy: -127.945
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.042
local terms energy: -71.871614
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -193.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877613 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.305
local terms energy: -72.093036
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -156.995346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.995346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.995346 (E_RNA)
where:
Base-Base interactions energy: -96.565
where: short stacking energy: -45.790
Base-Backbone interact. energy: -0.882
local terms energy: -59.547546
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -188.205446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.205446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.205446 (E_RNA)
where:
Base-Base interactions energy: -116.459
where: short stacking energy: -48.181
Base-Backbone interact. energy: -0.064
local terms energy: -71.682208
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -88.500849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.500849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.500849 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -24.754
Base-Backbone interact. energy: 0.314
local terms energy: -58.258702
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.881
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: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -92.368966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.368966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.368966 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -30.842
Base-Backbone interact. energy: -0.113
local terms energy: -61.413815
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -82.732623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732623 (E_RNA)
where:
Base-Base interactions energy: -25.439
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.233
local terms energy: -57.061191
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -72.652609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.652609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.652609 (E_RNA)
where:
Base-Base interactions energy: -20.247
where: short stacking energy: -16.910
Base-Backbone interact. energy: -0.258
local terms energy: -52.148361
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -2.990
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: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -77.005330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.005330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.005330 (E_RNA)
where:
Base-Base interactions energy: -26.509
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.029
local terms energy: -50.467965
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -2.490
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: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -207.322531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.322531 (E_RNA)
where:
Base-Base interactions energy: -130.613
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.019
local terms energy: -76.690092
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -203.098622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.098622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.098622 (E_RNA)
where:
Base-Base interactions energy: -129.464
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.044
local terms energy: -73.590974
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -6.094
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: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -196.790120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.790120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.790120 (E_RNA)
where:
Base-Base interactions energy: -125.975
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.824
local terms energy: -69.990305
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -10.575
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: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -145.425327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.425327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.425327 (E_RNA)
where:
Base-Base interactions energy: -82.501
where: short stacking energy: -44.995
Base-Backbone interact. energy: 0.260
local terms energy: -63.184272
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -8.030
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: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -178.376350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.376350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.376350 (E_RNA)
where:
Base-Base interactions energy: -116.741
where: short stacking energy: -45.068
Base-Backbone interact. energy: 0.264
local terms energy: -61.899237
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -94.598155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.598155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.598155 (E_RNA)
where:
Base-Base interactions energy: -33.435
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.182
local terms energy: -60.981072
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -7.494
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: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -72.870823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.870823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.870823 (E_RNA)
where:
Base-Base interactions energy: -19.061
where: short stacking energy: -19.027
Base-Backbone interact. energy: -1.443
local terms energy: -52.367107
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -84.145544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.145544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.145544 (E_RNA)
where:
Base-Base interactions energy: -27.438
where: short stacking energy: -27.438
Base-Backbone interact. energy: -0.078
local terms energy: -56.630118
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -76.908122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.908122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.908122 (E_RNA)
where:
Base-Base interactions energy: -25.132
where: short stacking energy: -14.434
Base-Backbone interact. energy: -0.095
local terms energy: -51.681310
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -1.363
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: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -85.334067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.334067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.334067 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -22.945
Base-Backbone interact. energy: -0.180
local terms energy: -46.845698
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 1.481
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: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -206.005300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005300 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.240
local terms energy: -76.213539
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -196.585001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.585001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.585001 (E_RNA)
where:
Base-Base interactions energy: -118.911
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.216
local terms energy: -77.457328
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -206.325445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.325445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325445 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.885
local terms energy: -73.131740
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -10.230
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -189.140982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.140982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.140982 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.011
local terms energy: -70.981309
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.461
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: 185
Temperature: 1.100000
Total energy: -152.080439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.080439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.080439 (E_RNA)
where:
Base-Base interactions energy: -86.376
where: short stacking energy: -55.676
Base-Backbone interact. energy: 2.346
local terms energy: -68.050881
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -86.022502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022502 (E_RNA)
where:
Base-Base interactions energy: -34.817
where: short stacking energy: -20.234
Base-Backbone interact. energy: -0.628
local terms energy: -50.576825
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -84.820326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.820326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.820326 (E_RNA)
where:
Base-Base interactions energy: -28.551
where: short stacking energy: -24.425
Base-Backbone interact. energy: -0.413
local terms energy: -55.856828
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -4.524
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: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -80.782601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.782601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.782601 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -25.998
Base-Backbone interact. energy: -0.104
local terms energy: -52.070449
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -84.866168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866168 (E_RNA)
where:
Base-Base interactions energy: -32.786
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.164
local terms energy: -51.916117
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -77.817211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.817211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.817211 (E_RNA)
where:
Base-Base interactions energy: -28.106
where: short stacking energy: -13.172
Base-Backbone interact. energy: -1.718
local terms energy: -47.992390
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -2.274
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: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -202.859622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.859622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.859622 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.014
local terms energy: -74.221986
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -8.096
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: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -215.274083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.274083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.274083 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.411
local terms energy: -77.099594
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -196.327445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327445 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.024
local terms energy: -67.008956
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -197.776618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.776618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.776618 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -60.010
Base-Backbone interact. energy: -0.147
local terms energy: -64.040067
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -153.541992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.541992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.541992 (E_RNA)
where:
Base-Base interactions energy: -96.771
where: short stacking energy: -49.437
Base-Backbone interact. energy: -0.096
local terms energy: -56.675074
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -8.720
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: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -91.086516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.086516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.086516 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -31.323
Base-Backbone interact. energy: -1.064
local terms energy: -50.491154
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -84.335579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.335579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.335579 (E_RNA)
where:
Base-Base interactions energy: -34.287
where: short stacking energy: -34.006
Base-Backbone interact. energy: 1.442
local terms energy: -51.490568
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -82.561945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.561945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.561945 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.422
local terms energy: -44.566387
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -9.767
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: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -75.464120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.464120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.464120 (E_RNA)
where:
Base-Base interactions energy: -23.929
where: short stacking energy: -19.757
Base-Backbone interact. energy: -0.244
local terms energy: -51.291291
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.050840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.050840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.050840 (E_RNA)
where:
Base-Base interactions energy: -23.994
where: short stacking energy: -12.679
Base-Backbone interact. energy: 0.052
local terms energy: -47.109287
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 0.795
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -207.652009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.652009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.652009 (E_RNA)
where:
Base-Base interactions energy: -135.473
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.569
local terms energy: -71.609969
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.851
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -207.787115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.787115 (E_RNA)
where:
Base-Base interactions energy: -136.778
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.103
local terms energy: -70.905851
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -19.331
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: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -200.594514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.594514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.594514 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.020
local terms energy: -71.780963
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.356
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: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -191.339438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.339438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.339438 (E_RNA)
where:
Base-Base interactions energy: -122.364
where: short stacking energy: -51.658
Base-Backbone interact. energy: -0.044
local terms energy: -68.931479
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -16.878
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -137.285693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.285693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.285693 (E_RNA)
where:
Base-Base interactions energy: -81.149
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.350
local terms energy: -55.785975
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -7.756
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -93.883291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883291 (E_RNA)
where:
Base-Base interactions energy: -41.269
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.378
local terms energy: -52.236423
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -82.058748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.058748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.058748 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -23.212
Base-Backbone interact. energy: -0.149
local terms energy: -52.569064
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -6.454
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: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -80.794329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.794329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.794329 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -23.347
Base-Backbone interact. energy: -0.083
local terms energy: -50.908047
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -74.987253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.987253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.987253 (E_RNA)
where:
Base-Base interactions energy: -20.846
where: short stacking energy: -19.426
Base-Backbone interact. energy: -1.034
local terms energy: -53.107312
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -7.729
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: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -66.522806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.522806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.522806 (E_RNA)
where:
Base-Base interactions energy: -25.080
where: short stacking energy: -17.020
Base-Backbone interact. energy: -0.264
local terms energy: -41.178862
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -2.140
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: 0.087
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -212.269150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.269150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.269150 (E_RNA)
where:
Base-Base interactions energy: -141.518
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.107
local terms energy: -70.643963
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -18.358
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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -201.178896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.178896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.178896 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -53.647
Base-Backbone interact. energy: -0.104
local terms energy: -70.464119
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -200.999951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.999951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.999951 (E_RNA)
where:
Base-Base interactions energy: -131.822
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.146
local terms energy: -69.031987
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -180.838680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.838680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.838680 (E_RNA)
where:
Base-Base interactions energy: -106.305
where: short stacking energy: -46.779
Base-Backbone interact. energy: -0.232
local terms energy: -74.301434
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -149.891101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.891101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.891101 (E_RNA)
where:
Base-Base interactions energy: -85.567
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.377
local terms energy: -63.947498
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -13.111
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: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -105.279603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.279603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.279603 (E_RNA)
where:
Base-Base interactions energy: -50.283
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.697
local terms energy: -54.298899
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -87.353364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.353364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.353364 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.048
local terms energy: -57.260851
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -4.936
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: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -79.670596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.670596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.670596 (E_RNA)
where:
Base-Base interactions energy: -24.871
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.107
local terms energy: -54.692514
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -66.140182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.140182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.140182 (E_RNA)
where:
Base-Base interactions energy: -19.107
where: short stacking energy: -19.829
Base-Backbone interact. energy: 0.107
local terms energy: -47.140356
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -70.057005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.057005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.057005 (E_RNA)
where:
Base-Base interactions energy: -24.217
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.328
local terms energy: -45.511478
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -4.416
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: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -208.916793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.916793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.916793 (E_RNA)
where:
Base-Base interactions energy: -131.984
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.007
local terms energy: -76.925855
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -203.729698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.729698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.729698 (E_RNA)
where:
Base-Base interactions energy: -131.913
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.275
local terms energy: -71.541122
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -200.772108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.772108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772108 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.688
local terms energy: -75.319316
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -162.616946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.616946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.616946 (E_RNA)
where:
Base-Base interactions energy: -96.539
where: short stacking energy: -46.332
Base-Backbone interact. energy: -1.120
local terms energy: -64.958130
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.065
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: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -151.327853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.327853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.327853 (E_RNA)
where:
Base-Base interactions energy: -88.669
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.095
local terms energy: -62.563517
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -3.884
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: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -100.210678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.210678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.210678 (E_RNA)
where:
Base-Base interactions energy: -54.024
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.573
local terms energy: -45.613601
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.962
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: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -78.858459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858459 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -13.830
Base-Backbone interact. energy: -0.204
local terms energy: -53.161792
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: 0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -76.279811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.279811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.279811 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.206
local terms energy: -46.496884
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -75.770378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.770378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.770378 (E_RNA)
where:
Base-Base interactions energy: -22.819
where: short stacking energy: -22.819
Base-Backbone interact. energy: -0.033
local terms energy: -52.918080
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -7.295
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -77.281702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.281702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.281702 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.049
local terms energy: -43.549323
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -210.661798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.661798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661798 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -62.634
Base-Backbone interact. energy: -1.025
local terms energy: -77.980218
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -208.935122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.935122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.935122 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.014
local terms energy: -77.404996
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -181.487271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.487271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.487271 (E_RNA)
where:
Base-Base interactions energy: -121.030
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.005
local terms energy: -60.452299
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -15.880
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -191.140486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140486 (E_RNA)
where:
Base-Base interactions energy: -126.335
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.489
local terms energy: -64.316153
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -13.203
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: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -149.781146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.781146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.781146 (E_RNA)
where:
Base-Base interactions energy: -86.093
where: short stacking energy: -45.371
Base-Backbone interact. energy: -0.818
local terms energy: -62.869595
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -100.523652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.523652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.523652 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.026
local terms energy: -59.857968
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -10.480
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: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -92.487901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.487901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.487901 (E_RNA)
where:
Base-Base interactions energy: -45.987
where: short stacking energy: -20.072
Base-Backbone interact. energy: -0.185
local terms energy: -46.315716
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -3.689
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: 190
Temperature: 1.250000
Total energy: -99.010368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.010368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.010368 (E_RNA)
where:
Base-Base interactions energy: -39.352
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.120
local terms energy: -59.538718
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.552986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552986 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -29.528
Base-Backbone interact. energy: 0.043
local terms energy: -49.068053
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -73.455919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.455919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.455919 (E_RNA)
where:
Base-Base interactions energy: -23.217
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.135
local terms energy: -50.104270
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -214.382248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.382248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.382248 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.055
local terms energy: -80.069706
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -182.324808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.324808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.324808 (E_RNA)
where:
Base-Base interactions energy: -124.691
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.015
local terms energy: -57.619329
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -6.630
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -200.067258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.067258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.067258 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.125
local terms energy: -74.876647
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -207.360050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.360050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.360050 (E_RNA)
where:
Base-Base interactions energy: -132.320
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.001
local terms energy: -75.038781
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -20.061
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: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -152.118067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.118067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.118067 (E_RNA)
where:
Base-Base interactions energy: -86.018
where: short stacking energy: -44.568
Base-Backbone interact. energy: -0.034
local terms energy: -66.066088
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -98.953765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953765 (E_RNA)
where:
Base-Base interactions energy: -48.659
where: short stacking energy: -44.061
Base-Backbone interact. energy: 1.266
local terms energy: -51.560798
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -5.473
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -81.886693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.886693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.886693 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -18.537
Base-Backbone interact. energy: -0.377
local terms energy: -52.199988
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: 0.704
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -73.232592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.232592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.232592 (E_RNA)
where:
Base-Base interactions energy: -29.120
where: short stacking energy: -22.583
Base-Backbone interact. energy: -0.133
local terms energy: -43.979539
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -90.969922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.969922 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -19.316
Base-Backbone interact. energy: 0.074
local terms energy: -51.111489
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -72.252064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.252064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.252064 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -23.505
Base-Backbone interact. energy: -0.061
local terms energy: -43.819639
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -221.598820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.598820 (E_RNA)
where:
Base-Base interactions energy: -141.413
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.083
local terms energy: -80.102760
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -20.132
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: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -190.419798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.419798 (E_RNA)
where:
Base-Base interactions energy: -123.106
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.041
local terms energy: -67.272776
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -210.127651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127651 (E_RNA)
where:
Base-Base interactions energy: -125.731
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.517
local terms energy: -83.879284
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -188.717768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.717768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717768 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -50.199
Base-Backbone interact. energy: -0.666
local terms energy: -72.247736
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.554
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: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -187.728487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.728487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.728487 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.062
local terms energy: -65.917313
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -19.677
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: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -90.595974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595974 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.246
local terms energy: -56.866704
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -86.947003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.947003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.947003 (E_RNA)
where:
Base-Base interactions energy: -27.587
where: short stacking energy: -23.893
Base-Backbone interact. energy: -1.927
local terms energy: -57.433323
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -2.597
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: 192
Temperature: 1.250000
Total energy: -79.528109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.528109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.528109 (E_RNA)
where:
Base-Base interactions energy: -26.463
where: short stacking energy: -17.908
Base-Backbone interact. energy: 0.703
local terms energy: -53.768392
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -2.431
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: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -84.265212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265212 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -18.448
Base-Backbone interact. energy: 1.360
local terms energy: -58.825240
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -68.553707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.553707 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -12.858
Base-Backbone interact. energy: -0.416
local terms energy: -55.228251
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -210.615681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615681 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -61.904
Base-Backbone interact. energy: -0.031
local terms energy: -76.714353
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -20.347
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: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -200.616107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.616107 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -63.557
Base-Backbone interact. energy: 0.112
local terms energy: -71.941685
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.707
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: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -176.244069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.244069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.244069 (E_RNA)
where:
Base-Base interactions energy: -113.667
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.221
local terms energy: -62.356505
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -12.580
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: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -189.511454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.511454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.511454 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.066
local terms energy: -77.196247
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -182.946171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.946171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946171 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -53.748
Base-Backbone interact. energy: -0.070
local terms energy: -62.029798
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -82.648617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.648617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.648617 (E_RNA)
where:
Base-Base interactions energy: -24.806
where: short stacking energy: -21.232
Base-Backbone interact. energy: 0.016
local terms energy: -57.858633
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -80.800496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.800496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.800496 (E_RNA)
where:
Base-Base interactions energy: -29.049
where: short stacking energy: -26.986
Base-Backbone interact. energy: 0.229
local terms energy: -51.979874
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -75.398940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.398940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.398940 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -26.337
Base-Backbone interact. energy: 0.548
local terms energy: -48.479835
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -70.304519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.304519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.304519 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.340
local terms energy: -42.308277
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -9.138
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: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -84.743612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.743612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.743612 (E_RNA)
where:
Base-Base interactions energy: -38.197
where: short stacking energy: -22.505
Base-Backbone interact. energy: -0.237
local terms energy: -46.309815
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.287
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: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -213.000394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.000394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.000394 (E_RNA)
where:
Base-Base interactions energy: -142.570
where: short stacking energy: -58.454
Base-Backbone interact. energy: -0.048
local terms energy: -70.382081
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -208.696151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.696151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.696151 (E_RNA)
where:
Base-Base interactions energy: -132.619
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.073
local terms energy: -76.004020
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.117
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: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -200.292261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.292261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.292261 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.070
local terms energy: -68.884785
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -10.221
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -175.331731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.331731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.331731 (E_RNA)
where:
Base-Base interactions energy: -109.595
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.020
local terms energy: -65.717310
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.444
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -176.829963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.829963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.829963 (E_RNA)
where:
Base-Base interactions energy: -114.404
where: short stacking energy: -49.946
Base-Backbone interact. energy: -1.029
local terms energy: -61.396768
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.222
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: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -112.632023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.632023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.632023 (E_RNA)
where:
Base-Base interactions energy: -56.044
where: short stacking energy: -28.224
Base-Backbone interact. energy: 0.137
local terms energy: -56.725244
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -3.440
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: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -91.631989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.631989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.631989 (E_RNA)
where:
Base-Base interactions energy: -43.869
where: short stacking energy: -24.441
Base-Backbone interact. energy: -0.189
local terms energy: -47.573984
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -3.358
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: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -74.251493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.251493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.251493 (E_RNA)
where:
Base-Base interactions energy: -20.157
where: short stacking energy: -20.157
Base-Backbone interact. energy: -0.109
local terms energy: -53.985345
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.098
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: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -105.439334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.439334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.439334 (E_RNA)
where:
Base-Base interactions energy: -59.358
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.113
local terms energy: -45.968698
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -74.341560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.341560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.341560 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -26.155
Base-Backbone interact. energy: -0.150
local terms energy: -40.610791
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -1.637
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: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -211.779960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.779960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.779960 (E_RNA)
where:
Base-Base interactions energy: -133.711
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.422
local terms energy: -77.647065
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -207.504993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.504993 (E_RNA)
where:
Base-Base interactions energy: -131.447
where: short stacking energy: -66.382
Base-Backbone interact. energy: -0.040
local terms energy: -76.017695
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -194.973359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973359 (E_RNA)
where:
Base-Base interactions energy: -121.622
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.017
local terms energy: -73.333717
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -7.966
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: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -153.153806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.153806 (E_RNA)
where:
Base-Base interactions energy: -90.792
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.427
local terms energy: -61.934090
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -13.757
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: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -177.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187432 (E_RNA)
where:
Base-Base interactions energy: -103.228
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.020
local terms energy: -73.939516
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -110.009053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.009053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.009053 (E_RNA)
where:
Base-Base interactions energy: -56.160
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.152
local terms energy: -53.697182
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -8.547
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: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -81.412428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.412428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.412428 (E_RNA)
where:
Base-Base interactions energy: -26.892
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.131
local terms energy: -54.389602
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -3.836
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: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -83.962925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.962925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.962925 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -24.654
Base-Backbone interact. energy: -0.054
local terms energy: -51.358737
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: 0.942
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -77.146029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146029 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -25.734
Base-Backbone interact. energy: -0.093
local terms energy: -49.641306
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -64.432828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.432828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.432828 (E_RNA)
where:
Base-Base interactions energy: -19.036
where: short stacking energy: -16.305
Base-Backbone interact. energy: 0.281
local terms energy: -45.677311
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -209.794598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794598 (E_RNA)
where:
Base-Base interactions energy: -127.850
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.215
local terms energy: -81.729763
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -14.336
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: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -203.016074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.016074 (E_RNA)
where:
Base-Base interactions energy: -128.816
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.022
local terms energy: -74.178287
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -18.709
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -204.479703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.479703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.479703 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.284
local terms energy: -76.992002
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -165.849805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.849805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.849805 (E_RNA)
where:
Base-Base interactions energy: -100.861
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.055
local terms energy: -64.933792
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -13.452
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: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -159.960820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.960820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.960820 (E_RNA)
where:
Base-Base interactions energy: -97.674
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.623
local terms energy: -61.663980
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -13.007
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -90.947581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.947581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.947581 (E_RNA)
where:
Base-Base interactions energy: -40.422
where: short stacking energy: -17.828
Base-Backbone interact. energy: -0.043
local terms energy: -50.482132
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -5.095
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: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -86.039906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039906 (E_RNA)
where:
Base-Base interactions energy: -27.192
where: short stacking energy: -27.192
Base-Backbone interact. energy: -0.456
local terms energy: -58.391639
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -1.940
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: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -75.449265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449265 (E_RNA)
where:
Base-Base interactions energy: -32.609
where: short stacking energy: -22.384
Base-Backbone interact. energy: 0.074
local terms energy: -42.914315
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -76.860892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.860892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.860892 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.781
local terms energy: -46.715997
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -87.535966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535966 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -27.904
Base-Backbone interact. energy: -2.105
local terms energy: -53.002924
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -214.253174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.253174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.253174 (E_RNA)
where:
Base-Base interactions energy: -133.345
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.865
local terms energy: -80.042506
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.155
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: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -211.229863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.229863 (E_RNA)
where:
Base-Base interactions energy: -132.568
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.424
local terms energy: -78.237460
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -205.158542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.158542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.158542 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.600
local terms energy: -69.585918
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -135.332765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.332765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.332765 (E_RNA)
where:
Base-Base interactions energy: -80.898
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.182
local terms energy: -54.252869
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -188.231367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231367 (E_RNA)
where:
Base-Base interactions energy: -123.900
where: short stacking energy: -51.893
Base-Backbone interact. energy: -0.466
local terms energy: -63.865733
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -94.410995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410995 (E_RNA)
where:
Base-Base interactions energy: -30.597
where: short stacking energy: -30.597
Base-Backbone interact. energy: -0.116
local terms energy: -63.698534
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -84.698883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.698883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.698883 (E_RNA)
where:
Base-Base interactions energy: -28.007
where: short stacking energy: -28.007
Base-Backbone interact. energy: -0.205
local terms energy: -56.487202
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -72.766465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.766465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.766465 (E_RNA)
where:
Base-Base interactions energy: -21.269
where: short stacking energy: -17.294
Base-Backbone interact. energy: -0.254
local terms energy: -51.243044
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: 0.912
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -84.573221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573221 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.162
local terms energy: -57.240977
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -73.639450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.639450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.639450 (E_RNA)
where:
Base-Base interactions energy: -27.200
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.030
local terms energy: -46.409016
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -0.560
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: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -213.455745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.455745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455745 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -64.602
Base-Backbone interact. energy: 0.163
local terms energy: -78.871680
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -13.041
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: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -208.219682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.219682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.219682 (E_RNA)
where:
Base-Base interactions energy: -127.700
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.142
local terms energy: -80.377651
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -11.072
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -194.957808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.957808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.957808 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.096
local terms energy: -74.316256
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -149.709682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.709682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.709682 (E_RNA)
where:
Base-Base interactions energy: -83.824
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.604
local terms energy: -65.282282
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.244
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: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -192.970311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.970311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.970311 (E_RNA)
where:
Base-Base interactions energy: -117.950
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.047
local terms energy: -74.972850
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -97.424796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.424796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.424796 (E_RNA)
where:
Base-Base interactions energy: -38.323
where: short stacking energy: -38.323
Base-Backbone interact. energy: -0.060
local terms energy: -59.041742
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -81.876061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876061 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -21.531
Base-Backbone interact. energy: -0.099
local terms energy: -51.148860
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -88.654307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.654307 (E_RNA)
where:
Base-Base interactions energy: -34.420
where: short stacking energy: -34.314
Base-Backbone interact. energy: -0.218
local terms energy: -54.015768
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -73.757629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.757629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.757629 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -23.730
Base-Backbone interact. energy: -0.090
local terms energy: -49.937852
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -71.391885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.391885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.391885 (E_RNA)
where:
Base-Base interactions energy: -29.031
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.074
local terms energy: -42.286982
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -210.224870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.224870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.224870 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.601
local terms energy: -71.266849
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.142
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -200.639217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639217 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.497
local terms energy: -72.673612
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -202.944482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.944482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.944482 (E_RNA)
where:
Base-Base interactions energy: -127.527
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.008
local terms energy: -75.409589
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -192.288274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.288274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.288274 (E_RNA)
where:
Base-Base interactions energy: -121.921
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.002
local terms energy: -70.365898
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.899
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: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -151.226851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.226851 (E_RNA)
where:
Base-Base interactions energy: -96.476
where: short stacking energy: -49.546
Base-Backbone interact. energy: -0.244
local terms energy: -54.507285
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -93.901643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.901643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.901643 (E_RNA)
where:
Base-Base interactions energy: -46.148
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.208
local terms energy: -47.545317
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -79.629882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.629882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.629882 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.320
local terms energy: -52.201097
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -82.000662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.000662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.000662 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.100
local terms energy: -42.887893
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: 4.169
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -82.714228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.714228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.714228 (E_RNA)
where:
Base-Base interactions energy: -24.292
where: short stacking energy: -20.690
Base-Backbone interact. energy: -0.156
local terms energy: -58.265439
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -72.954009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.954009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.954009 (E_RNA)
where:
Base-Base interactions energy: -23.027
where: short stacking energy: -13.054
Base-Backbone interact. energy: -0.185
local terms energy: -49.742402
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -205.614362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614362 (E_RNA)
where:
Base-Base interactions energy: -135.904
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.143
local terms energy: -69.566972
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -206.253374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.253374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.253374 (E_RNA)
where:
Base-Base interactions energy: -130.645
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.010
local terms energy: -75.598483
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -200.657944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.657944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.657944 (E_RNA)
where:
Base-Base interactions energy: -125.587
where: short stacking energy: -56.963
Base-Backbone interact. energy: -0.104
local terms energy: -74.967356
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -198.233466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.233466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.233466 (E_RNA)
where:
Base-Base interactions energy: -128.581
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.783
local terms energy: -68.869884
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -8.146
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: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -165.626027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.626027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.626027 (E_RNA)
where:
Base-Base interactions energy: -100.008
where: short stacking energy: -46.111
Base-Backbone interact. energy: -0.061
local terms energy: -65.557302
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -94.026209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.026209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.026209 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.296
local terms energy: -56.237110
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -82.485511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.485511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.485511 (E_RNA)
where:
Base-Base interactions energy: -24.073
where: short stacking energy: -19.725
Base-Backbone interact. energy: -0.133
local terms energy: -58.278913
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -97.392146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.392146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.392146 (E_RNA)
where:
Base-Base interactions energy: -48.182
where: short stacking energy: -27.163
Base-Backbone interact. energy: 0.766
local terms energy: -49.976460
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -6.554
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: 200
Temperature: 1.300000
Total energy: -76.540404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.540404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.540404 (E_RNA)
where:
Base-Base interactions energy: -17.364
where: short stacking energy: -13.620
Base-Backbone interact. energy: 0.582
local terms energy: -59.759154
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -2.878
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: 200
Temperature: 1.350000
Total energy: -72.831939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.831939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.831939 (E_RNA)
where:
Base-Base interactions energy: -23.478
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.453
local terms energy: -48.901094
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -0.349
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: 201
Temperature: 0.900000
Total energy: -209.383093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.383093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.383093 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.021
local terms energy: -79.714049
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.843
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: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -212.520655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520655 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.670
local terms energy: -79.904700
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -20.886
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: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -196.972737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.972737 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.011
local terms energy: -73.367191
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -160.358680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.358680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.358680 (E_RNA)
where:
Base-Base interactions energy: -94.328
where: short stacking energy: -39.934
Base-Backbone interact. energy: 0.643
local terms energy: -66.674151
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -190.865937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.865937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.865937 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -50.554
Base-Backbone interact. energy: -0.590
local terms energy: -66.986545
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -95.354256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354256 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.075
local terms energy: -56.705141
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -5.355
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: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -94.445130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.445130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.445130 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.128
local terms energy: -54.976358
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -85.430425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.430425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.430425 (E_RNA)
where:
Base-Base interactions energy: -29.539
where: short stacking energy: -23.815
Base-Backbone interact. energy: -0.197
local terms energy: -55.694587
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -69.540943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.540943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.540943 (E_RNA)
where:
Base-Base interactions energy: -21.473
where: short stacking energy: -15.264
Base-Backbone interact. energy: -0.329
local terms energy: -47.738643
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: 2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -66.763969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.763969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.763969 (E_RNA)
where:
Base-Base interactions energy: -27.571
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.290
local terms energy: -38.902995
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -1.635
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -212.555865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.555865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.555865 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.002
local terms energy: -74.237793
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -209.269097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.269097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.269097 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.120
local terms energy: -80.567611
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -14.151
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: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -193.929966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929966 (E_RNA)
where:
Base-Base interactions energy: -121.828
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.382
local terms energy: -71.720090
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.707
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: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -163.290459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290459 (E_RNA)
where:
Base-Base interactions energy: -97.737
where: short stacking energy: -48.180
Base-Backbone interact. energy: -0.046
local terms energy: -65.507379
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -181.037644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.037644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.037644 (E_RNA)
where:
Base-Base interactions energy: -111.012
where: short stacking energy: -47.806
Base-Backbone interact. energy: -0.329
local terms energy: -69.696776
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -83.683718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.683718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.683718 (E_RNA)
where:
Base-Base interactions energy: -25.114
where: short stacking energy: -24.581
Base-Backbone interact. energy: -0.126
local terms energy: -58.443894
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -5.858
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: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -80.459089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459089 (E_RNA)
where:
Base-Base interactions energy: -23.825
where: short stacking energy: -23.825
Base-Backbone interact. energy: -0.134
local terms energy: -56.500776
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -85.403996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403996 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -30.370
Base-Backbone interact. energy: -0.293
local terms energy: -52.388821
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -69.225812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.225812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.225812 (E_RNA)
where:
Base-Base interactions energy: -29.123
where: short stacking energy: -13.725
Base-Backbone interact. energy: -0.197
local terms energy: -39.905975
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -7.552
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: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.437347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.437347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.437347 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.172
local terms energy: -51.683568
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -207.999381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999381 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.037
local terms energy: -74.946268
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.725
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: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -196.864125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.864125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.864125 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.125
local terms energy: -73.374143
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -12.390
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: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -193.795533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.795533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.795533 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -62.923
Base-Backbone interact. energy: -0.028
local terms energy: -75.219185
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -195.260653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.260653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.260653 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.515
local terms energy: -55.301745
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -3.826
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: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -153.106186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.106186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.106186 (E_RNA)
where:
Base-Base interactions energy: -88.970
where: short stacking energy: -50.339
Base-Backbone interact. energy: -0.122
local terms energy: -64.014425
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -13.482
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -101.379100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.379100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.379100 (E_RNA)
where:
Base-Base interactions energy: -57.435
where: short stacking energy: -37.843
Base-Backbone interact. energy: -0.119
local terms energy: -43.824737
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -96.315016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315016 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.066
local terms energy: -61.117510
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -9.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -80.231197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.231197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.231197 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -28.034
Base-Backbone interact. energy: 0.913
local terms energy: -53.110978
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -89.567724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.567724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.567724 (E_RNA)
where:
Base-Base interactions energy: -48.933
where: short stacking energy: -21.856
Base-Backbone interact. energy: 1.326
local terms energy: -41.961112
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: 0.772
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -68.118268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.118268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.118268 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.093
local terms energy: -40.749068
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -207.009746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.009746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.009746 (E_RNA)
where:
Base-Base interactions energy: -129.871
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.044
local terms energy: -77.095515
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -21.162
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: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -202.197914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.197914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.197914 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.109
local terms energy: -71.674528
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.334
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: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -179.424298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.424298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.424298 (E_RNA)
where:
Base-Base interactions energy: -116.553
where: short stacking energy: -55.339
Base-Backbone interact. energy: -0.031
local terms energy: -62.840392
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -14.442
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: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -192.367797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.367797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.367797 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.004
local terms energy: -75.478728
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -15.039
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: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -133.995997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.995997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.995997 (E_RNA)
where:
Base-Base interactions energy: -75.027
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.060
local terms energy: -58.908516
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -85.398230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.398230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.398230 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.104
local terms energy: -52.850011
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -88.823173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823173 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -29.513
Base-Backbone interact. energy: 0.119
local terms energy: -51.081180
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.989401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.989401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.989401 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.145
local terms energy: -54.958404
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -75.388827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.388827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.388827 (E_RNA)
where:
Base-Base interactions energy: -24.017
where: short stacking energy: -20.363
Base-Backbone interact. energy: -0.623
local terms energy: -50.749376
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -69.205896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.205896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.205896 (E_RNA)
where:
Base-Base interactions energy: -26.022
where: short stacking energy: -20.501
Base-Backbone interact. energy: -0.324
local terms energy: -42.859882
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -211.744546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.744546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.744546 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.007
local terms energy: -78.300924
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -210.280366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.280366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.280366 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.174
local terms energy: -76.387476
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -195.134161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.134161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.134161 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.072
local terms energy: -70.980332
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -202.065494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065494 (E_RNA)
where:
Base-Base interactions energy: -126.151
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.052
local terms energy: -75.862250
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -167.030051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.030051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.030051 (E_RNA)
where:
Base-Base interactions energy: -97.884
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.232
local terms energy: -68.913933
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.446
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -132.207820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.207820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.207820 (E_RNA)
where:
Base-Base interactions energy: -66.883
where: short stacking energy: -45.310
Base-Backbone interact. energy: -0.005
local terms energy: -65.319802
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.836
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: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -93.145114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145114 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -30.392
Base-Backbone interact. energy: -0.001
local terms energy: -62.751786
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.699
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: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -82.543015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.543015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.543015 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -22.556
Base-Backbone interact. energy: -0.442
local terms energy: -44.502703
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -86.143400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.143400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.143400 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -23.420
Base-Backbone interact. energy: -0.868
local terms energy: -48.921373
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: 1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -77.047921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.047921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.047921 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.194
local terms energy: -48.726775
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -213.609263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.609263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.609263 (E_RNA)
where:
Base-Base interactions energy: -133.438
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.432
local terms energy: -79.738707
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -11.261
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: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -200.862549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862549 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -62.711
Base-Backbone interact. energy: 0.700
local terms energy: -82.088287
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -200.180364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.180364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.180364 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -61.202
Base-Backbone interact. energy: 0.233
local terms energy: -71.719598
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -18.087
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: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -200.760551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.760551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.760551 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.064
local terms energy: -76.759613
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -152.732774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.732774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.732774 (E_RNA)
where:
Base-Base interactions energy: -89.731
where: short stacking energy: -45.629
Base-Backbone interact. energy: -0.213
local terms energy: -62.788926
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -162.247648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.247648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.247648 (E_RNA)
where:
Base-Base interactions energy: -106.461
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.146
local terms energy: -55.640671
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -81.813018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.813018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.813018 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.226
local terms energy: -48.320734
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -91.978230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978230 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.104
local terms energy: -60.907170
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -72.987536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.987536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.987536 (E_RNA)
where:
Base-Base interactions energy: -29.383
where: short stacking energy: -17.946
Base-Backbone interact. energy: -0.006
local terms energy: -43.599397
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: 2.971
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: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.477233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.477233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.477233 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.120
local terms energy: -46.603973
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -211.534555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534555 (E_RNA)
where:
Base-Base interactions energy: -133.754
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.085
local terms energy: -77.694979
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -197.735438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.735438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.735438 (E_RNA)
where:
Base-Base interactions energy: -123.949
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.086
local terms energy: -73.699780
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -18.919
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: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -208.718298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.718298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.718298 (E_RNA)
where:
Base-Base interactions energy: -141.697
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.054
local terms energy: -66.967204
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -198.127006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.127006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.127006 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.147
local terms energy: -74.560265
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -14.937
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -150.634682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.634682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.634682 (E_RNA)
where:
Base-Base interactions energy: -93.290
where: short stacking energy: -38.772
Base-Backbone interact. energy: -0.492
local terms energy: -56.853195
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.317
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -150.184515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.184515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.184515 (E_RNA)
where:
Base-Base interactions energy: -82.819
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.609
local terms energy: -66.756547
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -79.452057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.452057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.452057 (E_RNA)
where:
Base-Base interactions energy: -27.038
where: short stacking energy: -22.983
Base-Backbone interact. energy: 1.315
local terms energy: -53.729590
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -81.912043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.912043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.912043 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.149
local terms energy: -54.042214
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -77.855753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.855753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.855753 (E_RNA)
where:
Base-Base interactions energy: -27.977
where: short stacking energy: -25.546
Base-Backbone interact. energy: -0.602
local terms energy: -49.276926
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -71.412192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.412192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.412192 (E_RNA)
where:
Base-Base interactions energy: -30.304
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.067
local terms energy: -41.041149
where:
bonds (distance) C4'-P energy: -6.818
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -206.414202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.414202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.414202 (E_RNA)
where:
Base-Base interactions energy: -125.708
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.008
local terms energy: -80.698718
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -198.768505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.768505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.768505 (E_RNA)
where:
Base-Base interactions energy: -127.155
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.553
local terms energy: -71.060185
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -200.182286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.182286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.182286 (E_RNA)
where:
Base-Base interactions energy: -129.280
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.063
local terms energy: -70.838698
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -14.158
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: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -189.624701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.624701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.624701 (E_RNA)
where:
Base-Base interactions energy: -118.660
where: short stacking energy: -58.715
Base-Backbone interact. energy: -0.313
local terms energy: -70.651178
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -144.908774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.908774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.908774 (E_RNA)
where:
Base-Base interactions energy: -90.494
where: short stacking energy: -34.674
Base-Backbone interact. energy: -0.583
local terms energy: -53.832070
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -11.627
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: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -162.401044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401044 (E_RNA)
where:
Base-Base interactions energy: -105.997
where: short stacking energy: -36.783
Base-Backbone interact. energy: 1.842
local terms energy: -58.246751
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -84.304900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.304900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.304900 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.099
local terms energy: -57.893784
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.800
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -85.821944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821944 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.121
local terms energy: -53.018362
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -88.949685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949685 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -23.857
Base-Backbone interact. energy: -0.172
local terms energy: -53.309738
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -4.960
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: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -69.232419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.232419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.232419 (E_RNA)
where:
Base-Base interactions energy: -19.323
where: short stacking energy: -16.548
Base-Backbone interact. energy: -0.197
local terms energy: -49.712445
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -209.416038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416038 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.264
local terms energy: -77.775694
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.753
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: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -204.322158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.322158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.322158 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -51.421
Base-Backbone interact. energy: -0.079
local terms energy: -73.141989
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -197.367711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.367711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367711 (E_RNA)
where:
Base-Base interactions energy: -126.028
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.006
local terms energy: -71.333902
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -10.777
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -199.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.522468 (E_RNA)
where:
Base-Base interactions energy: -122.798
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.042
local terms energy: -76.682393
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -17.387
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: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -148.818361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.818361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.818361 (E_RNA)
where:
Base-Base interactions energy: -86.104
where: short stacking energy: -33.590
Base-Backbone interact. energy: -1.215
local terms energy: -61.499439
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -5.987
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: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -92.569839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.569839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.569839 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -31.539
Base-Backbone interact. energy: 1.837
local terms energy: -56.899893
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -137.447900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.447900 (E_RNA)
where:
Base-Base interactions energy: -84.312
where: short stacking energy: -44.539
Base-Backbone interact. energy: -0.943
local terms energy: -52.193024
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -90.459546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.459546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.459546 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -24.614
Base-Backbone interact. energy: -0.020
local terms energy: -46.637554
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -80.463711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463711 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -21.721
Base-Backbone interact. energy: -0.160
local terms energy: -47.679688
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -67.750350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.750350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.750350 (E_RNA)
where:
Base-Base interactions energy: -9.292
where: short stacking energy: -9.692
Base-Backbone interact. energy: 0.751
local terms energy: -59.208887
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -216.629045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.629045 (E_RNA)
where:
Base-Base interactions energy: -146.164
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.198
local terms energy: -70.266621
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.625
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -198.109523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.109523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.109523 (E_RNA)
where:
Base-Base interactions energy: -125.796
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.072
local terms energy: -72.241568
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -9.669
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: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -194.124784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124784 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.248
local terms energy: -68.195694
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -8.157
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -18.334
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: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -205.644440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.644440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644440 (E_RNA)
where:
Base-Base interactions energy: -131.189
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.270
local terms energy: -74.185930
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -21.342
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: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -144.472306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.472306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.472306 (E_RNA)
where:
Base-Base interactions energy: -87.319
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.205
local terms energy: -56.948853
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -11.306
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: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -85.856453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.856453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.856453 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -22.950
Base-Backbone interact. energy: -0.229
local terms energy: -53.311190
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -2.373
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: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -132.976224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.976224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.976224 (E_RNA)
where:
Base-Base interactions energy: -85.278
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.082
local terms energy: -47.616559
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -92.817978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.817978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.817978 (E_RNA)
where:
Base-Base interactions energy: -43.740
where: short stacking energy: -24.094
Base-Backbone interact. energy: -1.033
local terms energy: -48.044668
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -2.858
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: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -84.187456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.187456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.187456 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -31.170
Base-Backbone interact. energy: -0.103
local terms energy: -52.913701
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -73.969552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.969552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.969552 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -21.134
Base-Backbone interact. energy: -0.778
local terms energy: -49.641644
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -5.875
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: 211
Temperature: 0.900000
Total energy: -209.299252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.299252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.299252 (E_RNA)
where:
Base-Base interactions energy: -133.646
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.155
local terms energy: -75.498762
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -15.936
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: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -209.090983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.090983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.090983 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.029
local terms energy: -73.051246
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -17.860
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: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -200.662022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.662022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.662022 (E_RNA)
where:
Base-Base interactions energy: -125.541
where: short stacking energy: -64.513
Base-Backbone interact. energy: -0.027
local terms energy: -75.093462
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -193.627347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.627347 (E_RNA)
where:
Base-Base interactions energy: -120.346
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.033
local terms energy: -73.248259
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -156.492529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.492529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.492529 (E_RNA)
where:
Base-Base interactions energy: -99.270
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.127
local terms energy: -57.095897
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -102.378160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.378160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.378160 (E_RNA)
where:
Base-Base interactions energy: -44.198
where: short stacking energy: -43.385
Base-Backbone interact. energy: -0.038
local terms energy: -58.142259
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.972
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: 211
Temperature: 1.200000
Total energy: -115.797096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.797096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.797096 (E_RNA)
where:
Base-Base interactions energy: -57.000
where: short stacking energy: -29.200
Base-Backbone interact. energy: 1.265
local terms energy: -60.061821
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -10.538
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: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -81.518776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.518776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.518776 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -14.191
Base-Backbone interact. energy: -1.001
local terms energy: -35.896423
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: 7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -73.846892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.846892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.846892 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -10.135
Base-Backbone interact. energy: 0.137
local terms energy: -40.114679
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -70.370957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.370957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.370957 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.181
local terms energy: -41.051416
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -1.290
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -204.338157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338157 (E_RNA)
where:
Base-Base interactions energy: -132.344
where: short stacking energy: -61.479
Base-Backbone interact. energy: 0.464
local terms energy: -72.458079
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -206.565602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.565602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.565602 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.125
local terms energy: -70.879711
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.098
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: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -194.134709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134709 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.000
local terms energy: -76.063765
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -200.693021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.693021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.693021 (E_RNA)
where:
Base-Base interactions energy: -125.604
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.680
local terms energy: -74.409193
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -149.633289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.633289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.633289 (E_RNA)
where:
Base-Base interactions energy: -85.583
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.193
local terms energy: -63.856503
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -105.530012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.530012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.530012 (E_RNA)
where:
Base-Base interactions energy: -50.075
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.097
local terms energy: -55.357976
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -137.730555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.730555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.730555 (E_RNA)
where:
Base-Base interactions energy: -85.739
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.250
local terms energy: -51.741345
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -98.027209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.027209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.027209 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -28.740
Base-Backbone interact. energy: 2.761
local terms energy: -51.242401
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -76.770056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.770056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.770056 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.044
local terms energy: -43.137866
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -74.846215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.846215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.846215 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.309
local terms energy: -45.975552
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -212.026723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.026723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.026723 (E_RNA)
where:
Base-Base interactions energy: -135.762
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.066
local terms energy: -76.198913
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -6.522
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -204.264724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.264724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.264724 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -53.501
Base-Backbone interact. energy: 0.096
local terms energy: -73.709671
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -11.590
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: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -193.555385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.555385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.555385 (E_RNA)
where:
Base-Base interactions energy: -123.315
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.070
local terms energy: -70.170301
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -194.906686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.906686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.906686 (E_RNA)
where:
Base-Base interactions energy: -126.118
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.071
local terms energy: -68.717825
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -153.289536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.289536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.289536 (E_RNA)
where:
Base-Base interactions energy: -91.340
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.214
local terms energy: -61.734791
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -168.715243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.715243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.715243 (E_RNA)
where:
Base-Base interactions energy: -101.817
where: short stacking energy: -50.253
Base-Backbone interact. energy: -1.268
local terms energy: -65.629638
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -81.060189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.060189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.060189 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.137
local terms energy: -52.996138
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -77.401877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.401877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.401877 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -15.196
Base-Backbone interact. energy: -1.065
local terms energy: -46.316937
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: 4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -69.802649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.802649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.802649 (E_RNA)
where:
Base-Base interactions energy: -21.690
where: short stacking energy: -16.101
Base-Backbone interact. energy: -0.849
local terms energy: -47.263768
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -1.371
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -71.503834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.503834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.503834 (E_RNA)
where:
Base-Base interactions energy: -13.874
where: short stacking energy: -13.874
Base-Backbone interact. energy: -0.217
local terms energy: -57.412388
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -209.393911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.393911 (E_RNA)
where:
Base-Base interactions energy: -132.693
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.243
local terms energy: -76.457648
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -209.589034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.589034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.589034 (E_RNA)
where:
Base-Base interactions energy: -132.714
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.009
local terms energy: -76.865900
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -208.516837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.516837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.516837 (E_RNA)
where:
Base-Base interactions energy: -131.201
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.313
local terms energy: -77.002702
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -21.749
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -187.698001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.698001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.698001 (E_RNA)
where:
Base-Base interactions energy: -117.081
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.100
local terms energy: -70.517099
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -183.900971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.900971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.900971 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.138
local terms energy: -70.141606
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -133.906239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.906239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.906239 (E_RNA)
where:
Base-Base interactions energy: -78.911
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.099
local terms energy: -54.896324
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -90.028606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028606 (E_RNA)
where:
Base-Base interactions energy: -41.117
where: short stacking energy: -31.433
Base-Backbone interact. energy: -1.014
local terms energy: -47.897210
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -9.008
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: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -81.089500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.089500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.089500 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.224
local terms energy: -44.897182
where:
bonds (distance) C4'-P energy: -6.410
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -76.520383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.520383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.520383 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -28.404
Base-Backbone interact. energy: -0.068
local terms energy: -47.399502
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.862
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: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -77.982900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.982900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.982900 (E_RNA)
where:
Base-Base interactions energy: -28.586
where: short stacking energy: -24.345
Base-Backbone interact. energy: -0.109
local terms energy: -49.287821
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.592
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: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -200.467674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.467674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.467674 (E_RNA)
where:
Base-Base interactions energy: -131.396
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.249
local terms energy: -68.823167
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -200.872304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.872304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.872304 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -56.812
Base-Backbone interact. energy: 0.219
local terms energy: -76.545328
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -17.436
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: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -201.666814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.666814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.666814 (E_RNA)
where:
Base-Base interactions energy: -138.111
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.076
local terms energy: -63.479668
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -158.686569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.686569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.686569 (E_RNA)
where:
Base-Base interactions energy: -95.140
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.003
local terms energy: -63.543524
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -188.461701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.461701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.461701 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -47.739
Base-Backbone interact. energy: -0.190
local terms energy: -74.547490
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -13.392
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: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -112.187647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187647 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -30.733
Base-Backbone interact. energy: -0.348
local terms energy: -61.353148
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -84.546444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.546444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.546444 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -23.603
Base-Backbone interact. energy: -0.576
local terms energy: -50.449091
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -5.280
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -85.777996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.777996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.777996 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -26.950
Base-Backbone interact. energy: 0.960
local terms energy: -59.396963
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -6.439
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: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -81.962773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.962773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.962773 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -18.923
Base-Backbone interact. energy: -0.080
local terms energy: -53.510394
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.636790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636790 (E_RNA)
where:
Base-Base interactions energy: -35.749
where: short stacking energy: -28.325
Base-Backbone interact. energy: -0.076
local terms energy: -48.811543
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -1.259
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: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -211.457012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.457012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.457012 (E_RNA)
where:
Base-Base interactions energy: -130.775
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.394
local terms energy: -80.288458
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -17.773
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: 216
Temperature: 0.950000
Total energy: -210.402589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.402589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.402589 (E_RNA)
where:
Base-Base interactions energy: -138.037
where: short stacking energy: -60.808
Base-Backbone interact. energy: -0.167
local terms energy: -72.198095
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -169.080289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.080289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.080289 (E_RNA)
where:
Base-Base interactions energy: -98.212
where: short stacking energy: -52.549
Base-Backbone interact. energy: -0.534
local terms energy: -70.334672
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -190.433299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.433299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.433299 (E_RNA)
where:
Base-Base interactions energy: -117.523
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.143
local terms energy: -72.767573
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -199.658385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.658385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.658385 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.139
local terms energy: -76.145674
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -22.686
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: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -104.104593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104593 (E_RNA)
where:
Base-Base interactions energy: -54.944
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.118
local terms energy: -49.042038
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -89.813755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813755 (E_RNA)
where:
Base-Base interactions energy: -30.754
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.129
local terms energy: -58.929971
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -12.317
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: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -85.573084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573084 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.001
local terms energy: -51.355849
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -78.198612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.198612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.198612 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.241
local terms energy: -49.040386
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -0.286
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: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -74.880955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880955 (E_RNA)
where:
Base-Base interactions energy: -31.678
where: short stacking energy: -16.547
Base-Backbone interact. energy: -0.406
local terms energy: -42.796543
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -3.974
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: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -214.176475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.176475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.176475 (E_RNA)
where:
Base-Base interactions energy: -132.364
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.686
local terms energy: -81.125924
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -159.667556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.667556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.667556 (E_RNA)
where:
Base-Base interactions energy: -102.567
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.148
local terms energy: -56.952587
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -197.234819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.234819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.234819 (E_RNA)
where:
Base-Base interactions energy: -132.153
where: short stacking energy: -57.213
Base-Backbone interact. energy: -0.165
local terms energy: -64.916942
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -198.689075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.689075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.689075 (E_RNA)
where:
Base-Base interactions energy: -123.503
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.111
local terms energy: -75.074958
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -188.913854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.913854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.913854 (E_RNA)
where:
Base-Base interactions energy: -120.543
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.168
local terms energy: -68.202777
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -6.970
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: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -96.425310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.425310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.425310 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -37.908
Base-Backbone interact. energy: -0.229
local terms energy: -58.119861
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -11.833
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: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -91.969350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.969350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.969350 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.054
local terms energy: -58.284397
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -6.981
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: 217
Temperature: 1.250000
Total energy: -99.649621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.649621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.649621 (E_RNA)
where:
Base-Base interactions energy: -47.617
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.027
local terms energy: -52.005644
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -79.167744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.167744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.167744 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.104
local terms energy: -48.315849
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -88.590466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590466 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.137
local terms energy: -35.320585
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -7.070
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: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -201.906765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.906765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.906765 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.028
local terms energy: -73.528714
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.662
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: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -176.493648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.493648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.493648 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -47.742
Base-Backbone interact. energy: -0.119
local terms energy: -67.529846
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -194.008713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.008713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.008713 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.008
local terms energy: -71.958267
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -195.546228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.546228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.546228 (E_RNA)
where:
Base-Base interactions energy: -123.521
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.110
local terms energy: -71.915444
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.249
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: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -194.826963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.826963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.826963 (E_RNA)
where:
Base-Base interactions energy: -122.869
where: short stacking energy: -59.478
Base-Backbone interact. energy: -0.092
local terms energy: -71.865578
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -96.365271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.365271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.365271 (E_RNA)
where:
Base-Base interactions energy: -38.138
where: short stacking energy: -38.138
Base-Backbone interact. energy: -0.062
local terms energy: -58.164656
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -10.631
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: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -98.390508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.390508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.390508 (E_RNA)
where:
Base-Base interactions energy: -45.723
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.491
local terms energy: -52.176790
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -81.882191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882191 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.102
local terms energy: -48.731956
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -83.422223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422223 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.054
local terms energy: -48.936106
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: 1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -72.670143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670143 (E_RNA)
where:
Base-Base interactions energy: -18.908
where: short stacking energy: -18.566
Base-Backbone interact. energy: -0.179
local terms energy: -53.582860
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -0.712
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: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -217.159025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.159025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.159025 (E_RNA)
where:
Base-Base interactions energy: -142.420
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.043
local terms energy: -74.695759
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -200.981666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.981666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.981666 (E_RNA)
where:
Base-Base interactions energy: -124.659
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.105
local terms energy: -76.217620
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -19.392
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -163.204843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.204843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.204843 (E_RNA)
where:
Base-Base interactions energy: -97.243
where: short stacking energy: -48.250
Base-Backbone interact. energy: -0.182
local terms energy: -65.780685
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -18.230
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: 219
Temperature: 1.050000
Total energy: -197.681526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.681526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.681526 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.238
local terms energy: -75.791800
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -13.816
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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -179.760270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.760270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.760270 (E_RNA)
where:
Base-Base interactions energy: -119.967
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.222
local terms energy: -59.570793
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -17.003
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: 219
Temperature: 1.150000
Total energy: -89.994831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.994831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.994831 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.747
local terms energy: -54.293757
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -6.199
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: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -88.198554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198554 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.045
local terms energy: -55.390683
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -87.750361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.750361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.750361 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.274
local terms energy: -44.714961
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -4.032
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: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -72.728098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.728098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.728098 (E_RNA)
where:
Base-Base interactions energy: -27.797
where: short stacking energy: -21.240
Base-Backbone interact. energy: 1.007
local terms energy: -45.938150
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -75.293486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.293486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.293486 (E_RNA)
where:
Base-Base interactions energy: -21.665
where: short stacking energy: -23.459
Base-Backbone interact. energy: -0.125
local terms energy: -53.502657
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -214.199185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.199185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.199185 (E_RNA)
where:
Base-Base interactions energy: -133.229
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.036
local terms energy: -80.933667
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -201.572128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.572128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.572128 (E_RNA)
where:
Base-Base interactions energy: -125.569
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.055
local terms energy: -75.947842
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -205.247384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.247384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.247384 (E_RNA)
where:
Base-Base interactions energy: -131.209
where: short stacking energy: -65.057
Base-Backbone interact. energy: 0.571
local terms energy: -74.609211
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -19.826
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: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -138.639786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.639786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.639786 (E_RNA)
where:
Base-Base interactions energy: -79.019
where: short stacking energy: -44.440
Base-Backbone interact. energy: -0.307
local terms energy: -59.313684
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -190.863355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.863355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.863355 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.008
local terms energy: -71.021467
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -9.552
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -95.878656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878656 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.005
local terms energy: -62.356738
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -10.421
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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -102.420231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.420231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.420231 (E_RNA)
where:
Base-Base interactions energy: -61.543
where: short stacking energy: -18.162
Base-Backbone interact. energy: -0.140
local terms energy: -40.737943
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -80.703963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.703963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.703963 (E_RNA)
where:
Base-Base interactions energy: -22.560
where: short stacking energy: -21.775
Base-Backbone interact. energy: -0.227
local terms energy: -57.917360
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -7.080
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: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -76.115864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.115864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.115864 (E_RNA)
where:
Base-Base interactions energy: -19.804
where: short stacking energy: -19.804
Base-Backbone interact. energy: -0.136
local terms energy: -56.175885
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -4.363
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: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -68.350067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.350067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.350067 (E_RNA)
where:
Base-Base interactions energy: -25.792
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.334
local terms energy: -42.224294
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -4.120
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -2.965
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: 221
Temperature: 0.900000
Total energy: -211.854417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.854417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.854417 (E_RNA)
where:
Base-Base interactions energy: -137.147
where: short stacking energy: -72.888
Base-Backbone interact. energy: 1.556
local terms energy: -76.263125
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -209.416301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416301 (E_RNA)
where:
Base-Base interactions energy: -134.773
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.309
local terms energy: -74.334097
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -17.147
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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -208.930435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.930435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.930435 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.003
local terms energy: -74.004847
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -194.589281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.589281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.589281 (E_RNA)
where:
Base-Base interactions energy: -120.676
where: short stacking energy: -59.863
Base-Backbone interact. energy: 0.121
local terms energy: -74.034783
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -18.747
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: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -152.216193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.216193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.216193 (E_RNA)
where:
Base-Base interactions energy: -82.563
where: short stacking energy: -43.405
Base-Backbone interact. energy: -0.145
local terms energy: -69.507559
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -12.286
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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -80.243358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243358 (E_RNA)
where:
Base-Base interactions energy: -26.382
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.052
local terms energy: -53.808696
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.479
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: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -76.324960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.324960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.324960 (E_RNA)
where:
Base-Base interactions energy: -23.823
where: short stacking energy: -16.925
Base-Backbone interact. energy: -0.054
local terms energy: -52.447965
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -76.592809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.592809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.592809 (E_RNA)
where:
Base-Base interactions energy: -25.205
where: short stacking energy: -24.733
Base-Backbone interact. energy: -0.285
local terms energy: -51.103127
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -2.059
tors. eta vs tors. theta energy: -5.105
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -75.248156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.248156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.248156 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -24.907
Base-Backbone interact. energy: -0.307
local terms energy: -50.034528
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -68.901689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.901689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.901689 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.275
local terms energy: -39.855292
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: 2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -208.124372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.124372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.124372 (E_RNA)
where:
Base-Base interactions energy: -130.920
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.006
local terms energy: -77.198015
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -202.376678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.376678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.376678 (E_RNA)
where:
Base-Base interactions energy: -127.942
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.354
local terms energy: -74.080938
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -14.620
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: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -203.909527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.909527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.909527 (E_RNA)
where:
Base-Base interactions energy: -122.736
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.014
local terms energy: -81.159654
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -198.510950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.510950 (E_RNA)
where:
Base-Base interactions energy: -122.369
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.165
local terms energy: -75.977328
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -7.939
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -149.391389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.391389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.391389 (E_RNA)
where:
Base-Base interactions energy: -88.508
where: short stacking energy: -47.513
Base-Backbone interact. energy: -0.426
local terms energy: -60.457730
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -11.802
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: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -85.811608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.811608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.811608 (E_RNA)
where:
Base-Base interactions energy: -29.026
where: short stacking energy: -26.300
Base-Backbone interact. energy: -0.188
local terms energy: -56.598184
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -88.143578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.143578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.143578 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -24.452
Base-Backbone interact. energy: 0.650
local terms energy: -48.638081
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -88.525625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.525625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.525625 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.113
local terms energy: -57.445250
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -6.277
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -73.475313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.475313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.475313 (E_RNA)
where:
Base-Base interactions energy: -28.444
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.279
local terms energy: -44.752234
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -0.340
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -75.775536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.775536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.775536 (E_RNA)
where:
Base-Base interactions energy: -28.256
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.061
local terms energy: -47.458670
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -3.640
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: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -205.730725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.730725 (E_RNA)
where:
Base-Base interactions energy: -124.873
where: short stacking energy: -61.682
Base-Backbone interact. energy: -0.273
local terms energy: -80.584521
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -194.891486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.891486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.891486 (E_RNA)
where:
Base-Base interactions energy: -129.135
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.001
local terms energy: -65.755187
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.583
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -195.475104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.475104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.475104 (E_RNA)
where:
Base-Base interactions energy: -117.455
where: short stacking energy: -53.263
Base-Backbone interact. energy: -0.001
local terms energy: -78.019318
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -194.486431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.486431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.486431 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.210
local terms energy: -65.310271
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -172.020597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.020597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.020597 (E_RNA)
where:
Base-Base interactions energy: -101.277
where: short stacking energy: -46.846
Base-Backbone interact. energy: -0.082
local terms energy: -70.661726
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -17.050
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: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -96.326222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326222 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -27.260
Base-Backbone interact. energy: -0.512
local terms energy: -60.807074
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -85.071413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.071413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.071413 (E_RNA)
where:
Base-Base interactions energy: -30.450
where: short stacking energy: -30.450
Base-Backbone interact. energy: -0.114
local terms energy: -54.507139
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -79.816139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.816139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.816139 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -13.033
Base-Backbone interact. energy: -0.366
local terms energy: -49.058294
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: 0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -73.678078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.678078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.678078 (E_RNA)
where:
Base-Base interactions energy: -20.735
where: short stacking energy: -21.835
Base-Backbone interact. energy: -0.299
local terms energy: -52.644277
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -5.592
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: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -82.499920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.499920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.499920 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -21.910
Base-Backbone interact. energy: -0.162
local terms energy: -40.873952
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -209.718592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.718592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.718592 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.001
local terms energy: -78.506284
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.855
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: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -200.897144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.897144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.897144 (E_RNA)
where:
Base-Base interactions energy: -135.177
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.066
local terms energy: -65.654438
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -194.328238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.328238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.328238 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.263
local terms energy: -76.595347
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.156
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -201.246367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.246367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.246367 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.029
local terms energy: -70.751522
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -18.486
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: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -176.927339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.927339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.927339 (E_RNA)
where:
Base-Base interactions energy: -109.191
where: short stacking energy: -50.481
Base-Backbone interact. energy: -0.209
local terms energy: -67.526552
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -94.372204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372204 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.595
local terms energy: -56.825451
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -83.909517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909517 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.056
local terms energy: -54.962561
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -1.637
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: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -71.849344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.849344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.849344 (E_RNA)
where:
Base-Base interactions energy: -27.451
where: short stacking energy: -19.921
Base-Backbone interact. energy: -0.121
local terms energy: -44.277606
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -76.714330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.714330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.714330 (E_RNA)
where:
Base-Base interactions energy: -22.402
where: short stacking energy: -22.402
Base-Backbone interact. energy: 1.052
local terms energy: -55.364591
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -79.922999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922999 (E_RNA)
where:
Base-Base interactions energy: -26.932
where: short stacking energy: -26.932
Base-Backbone interact. energy: 0.836
local terms energy: -53.827082
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -0.948
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -208.555858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.555858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.555858 (E_RNA)
where:
Base-Base interactions energy: -131.067
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.638
local terms energy: -76.850826
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -207.281961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.281961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.281961 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -65.167
Base-Backbone interact. energy: -0.003
local terms energy: -77.317208
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -195.912137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.912137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.912137 (E_RNA)
where:
Base-Base interactions energy: -127.710
where: short stacking energy: -57.590
Base-Backbone interact. energy: -1.142
local terms energy: -67.059635
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -198.667693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.667693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.667693 (E_RNA)
where:
Base-Base interactions energy: -126.939
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.022
local terms energy: -71.706156
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -176.193469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.193469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.193469 (E_RNA)
where:
Base-Base interactions energy: -104.731
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.105
local terms energy: -71.357676
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.174
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -105.567889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.567889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.567889 (E_RNA)
where:
Base-Base interactions energy: -54.832
where: short stacking energy: -25.697
Base-Backbone interact. energy: -0.459
local terms energy: -50.276264
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -103.969882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.969882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.969882 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.009
local terms energy: -65.999042
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -75.482664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.482664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.482664 (E_RNA)
where:
Base-Base interactions energy: -37.304
where: short stacking energy: -26.410
Base-Backbone interact. energy: 2.592
local terms energy: -40.770529
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: 0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -78.981379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.981379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.981379 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -17.500
Base-Backbone interact. energy: -0.095
local terms energy: -43.987540
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -71.945689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.945689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.945689 (E_RNA)
where:
Base-Base interactions energy: -22.687
where: short stacking energy: -16.853
Base-Backbone interact. energy: -0.343
local terms energy: -48.916084
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -213.876968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876968 (E_RNA)
where:
Base-Base interactions energy: -136.237
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.381
local terms energy: -77.258356
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -206.461658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.461658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.461658 (E_RNA)
where:
Base-Base interactions energy: -130.158
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.198
local terms energy: -76.105477
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.934
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: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -195.690209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690209 (E_RNA)
where:
Base-Base interactions energy: -113.988
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.068
local terms energy: -81.635118
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -18.258
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: 226
Temperature: 1.050000
Total energy: -199.218422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218422 (E_RNA)
where:
Base-Base interactions energy: -129.783
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.111
local terms energy: -69.325136
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -152.630590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.630590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.630590 (E_RNA)
where:
Base-Base interactions energy: -93.743
where: short stacking energy: -37.073
Base-Backbone interact. energy: 0.232
local terms energy: -59.119152
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -9.307
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: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -91.984007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.984007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.984007 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.792
local terms energy: -58.155892
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -79.097706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.097706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.097706 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.257
local terms energy: -55.061351
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -5.077
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: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -91.062766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.062766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.062766 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.004
local terms energy: -46.839467
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -4.093
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: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -72.968118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.968118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.968118 (E_RNA)
where:
Base-Base interactions energy: -24.486
where: short stacking energy: -22.080
Base-Backbone interact. energy: -0.191
local terms energy: -48.291288
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -2.760
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: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.713754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.713754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.713754 (E_RNA)
where:
Base-Base interactions energy: -25.336
where: short stacking energy: -15.506
Base-Backbone interact. energy: -0.255
local terms energy: -49.123419
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -1.649
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: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -218.589338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.589338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.589338 (E_RNA)
where:
Base-Base interactions energy: -138.183
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.157
local terms energy: -80.249562
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -209.057770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.057770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057770 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -62.036
Base-Backbone interact. energy: 1.002
local terms energy: -74.363564
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -197.309571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.309571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.309571 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.099
local terms energy: -69.432508
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -203.909106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.909106 (E_RNA)
where:
Base-Base interactions energy: -127.167
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.032
local terms energy: -76.709540
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -159.632464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.632464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.632464 (E_RNA)
where:
Base-Base interactions energy: -98.466
where: short stacking energy: -41.389
Base-Backbone interact. energy: -0.203
local terms energy: -60.963589
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -96.239289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.239289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.239289 (E_RNA)
where:
Base-Base interactions energy: -38.930
where: short stacking energy: -38.930
Base-Backbone interact. energy: -0.128
local terms energy: -57.181076
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -91.848640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.848640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.848640 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -27.087
Base-Backbone interact. energy: -1.295
local terms energy: -51.127767
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.468
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: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -81.460234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.460234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.460234 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.243
local terms energy: -49.315616
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -6.985
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -5.837
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: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -78.068161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.068161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.068161 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -23.094
Base-Backbone interact. energy: -0.228
local terms energy: -43.394767
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -2.558
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -75.331265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.331265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.331265 (E_RNA)
where:
Base-Base interactions energy: -22.370
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.097
local terms energy: -52.863662
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -212.342647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342647 (E_RNA)
where:
Base-Base interactions energy: -137.914
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.026
local terms energy: -74.403171
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.631
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -213.824868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.824868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.824868 (E_RNA)
where:
Base-Base interactions energy: -135.588
where: short stacking energy: -65.524
Base-Backbone interact. energy: 0.115
local terms energy: -78.351849
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -194.221446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.221446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.221446 (E_RNA)
where:
Base-Base interactions energy: -120.964
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.614
local terms energy: -72.643417
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.884
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: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -199.608956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.608956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.608956 (E_RNA)
where:
Base-Base interactions energy: -128.909
where: short stacking energy: -66.526
Base-Backbone interact. energy: 0.060
local terms energy: -70.759519
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -156.886374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.886374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.886374 (E_RNA)
where:
Base-Base interactions energy: -92.225
where: short stacking energy: -39.689
Base-Backbone interact. energy: -0.119
local terms energy: -64.542184
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.981
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: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -94.427785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427785 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.027
local terms energy: -52.071579
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -3.652
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: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -90.033294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033294 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.120
local terms energy: -61.599180
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -11.119
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -86.200776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200776 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -26.348
Base-Backbone interact. energy: -0.087
local terms energy: -56.297903
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -85.155495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155495 (E_RNA)
where:
Base-Base interactions energy: -42.159
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.205
local terms energy: -42.790817
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: 1.021
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -69.255111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.255111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.255111 (E_RNA)
where:
Base-Base interactions energy: -20.018
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.849
local terms energy: -48.388172
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.137
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: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -205.665224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.665224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.665224 (E_RNA)
where:
Base-Base interactions energy: -131.614
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.005
local terms energy: -74.045815
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -13.152
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: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -202.523855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523855 (E_RNA)
where:
Base-Base interactions energy: -119.321
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.100
local terms energy: -83.102076
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.276
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: 229
Temperature: 1.000000
Total energy: -190.933467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.933467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.933467 (E_RNA)
where:
Base-Base interactions energy: -119.036
where: short stacking energy: -61.747
Base-Backbone interact. energy: -0.059
local terms energy: -71.837832
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -177.429144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.429144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.429144 (E_RNA)
where:
Base-Base interactions energy: -114.067
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.031
local terms energy: -63.330762
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -17.081
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: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -149.762983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.762983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.762983 (E_RNA)
where:
Base-Base interactions energy: -83.194
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.028
local terms energy: -66.541027
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -108.457286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.457286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.457286 (E_RNA)
where:
Base-Base interactions energy: -46.730
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.016
local terms energy: -61.711105
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -77.172894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.172894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.172894 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -22.132
Base-Backbone interact. energy: -0.308
local terms energy: -50.290705
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -8.325
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: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -89.956337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.956337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.956337 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -15.440
Base-Backbone interact. energy: -0.646
local terms energy: -49.203594
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -2.293
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: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -122.664862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.664862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.664862 (E_RNA)
where:
Base-Base interactions energy: -75.873
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.549
local terms energy: -46.242342
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -7.681
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -70.306732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.306732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.306732 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -17.643
Base-Backbone interact. energy: -0.302
local terms energy: -40.886445
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -4.838
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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -208.846834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.846834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.846834 (E_RNA)
where:
Base-Base interactions energy: -130.160
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.017
local terms energy: -78.669730
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -205.638908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.638908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.638908 (E_RNA)
where:
Base-Base interactions energy: -126.415
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.056
local terms energy: -79.167385
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -200.954054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.954054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954054 (E_RNA)
where:
Base-Base interactions energy: -126.360
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.227
local terms energy: -74.366432
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -187.655161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.655161 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.301
local terms energy: -71.541043
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -6.984
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: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -169.146899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.146899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.146899 (E_RNA)
where:
Base-Base interactions energy: -110.248
where: short stacking energy: -38.116
Base-Backbone interact. energy: -0.330
local terms energy: -58.568767
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -89.372626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372626 (E_RNA)
where:
Base-Base interactions energy: -28.993
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.259
local terms energy: -60.120687
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -5.812
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: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -83.894341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894341 (E_RNA)
where:
Base-Base interactions energy: -38.718
where: short stacking energy: -25.210
Base-Backbone interact. energy: -0.130
local terms energy: -45.046503
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -82.017048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.017048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.017048 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -28.059
Base-Backbone interact. energy: 0.318
local terms energy: -54.276468
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -3.343
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -74.027779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.027779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.027779 (E_RNA)
where:
Base-Base interactions energy: -24.213
where: short stacking energy: -13.772
Base-Backbone interact. energy: -0.103
local terms energy: -49.712018
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -75.777129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.777129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.777129 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.167
local terms energy: -46.475729
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -212.888387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888387 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.845
local terms energy: -80.987726
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.129
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -203.528940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.528940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.528940 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -58.043
Base-Backbone interact. energy: 0.172
local terms energy: -72.190955
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -191.255166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.255166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255166 (E_RNA)
where:
Base-Base interactions energy: -114.011
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.051
local terms energy: -77.193515
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.168
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -189.055076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.055076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.055076 (E_RNA)
where:
Base-Base interactions energy: -124.036
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.019
local terms energy: -65.000779
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -14.617
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: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -148.271875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.271875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.271875 (E_RNA)
where:
Base-Base interactions energy: -81.918
where: short stacking energy: -41.661
Base-Backbone interact. energy: -0.103
local terms energy: -66.249978
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -8.052
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: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -92.214560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.214560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.214560 (E_RNA)
where:
Base-Base interactions energy: -40.365
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.044
local terms energy: -51.805872
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -6.720
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: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -81.941259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.941259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.941259 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.313
local terms energy: -54.706561
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -3.298
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -83.520702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.520702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.520702 (E_RNA)
where:
Base-Base interactions energy: -43.163
where: short stacking energy: -17.544
Base-Backbone interact. energy: 1.046
local terms energy: -41.404063
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -77.739669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.739669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.739669 (E_RNA)
where:
Base-Base interactions energy: -32.084
where: short stacking energy: -20.065
Base-Backbone interact. energy: -0.120
local terms energy: -45.536322
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -70.037026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.037026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.037026 (E_RNA)
where:
Base-Base interactions energy: -22.462
where: short stacking energy: -20.716
Base-Backbone interact. energy: -1.178
local terms energy: -46.397155
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -206.393845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.393845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.393845 (E_RNA)
where:
Base-Base interactions energy: -136.015
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.016
local terms energy: -70.363458
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -20.612
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: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -203.855183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.855183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.855183 (E_RNA)
where:
Base-Base interactions energy: -126.243
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.159
local terms energy: -77.453062
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -194.132525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.132525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.132525 (E_RNA)
where:
Base-Base interactions energy: -119.692
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.502
local terms energy: -73.938631
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -17.249
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -180.994095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.994095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.994095 (E_RNA)
where:
Base-Base interactions energy: -111.302
where: short stacking energy: -53.838
Base-Backbone interact. energy: -0.060
local terms energy: -69.631971
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -165.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.348894 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.317
local terms energy: -59.782207
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -87.277896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277896 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.198
local terms energy: -55.408750
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -80.704704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.704704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.704704 (E_RNA)
where:
Base-Base interactions energy: -24.781
where: short stacking energy: -20.673
Base-Backbone interact. energy: -0.251
local terms energy: -55.672239
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.743
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: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -85.263093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263093 (E_RNA)
where:
Base-Base interactions energy: -32.084
where: short stacking energy: -28.284
Base-Backbone interact. energy: -0.078
local terms energy: -53.100900
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -1.771
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -81.483660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.483660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.483660 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -29.391
Base-Backbone interact. energy: -0.274
local terms energy: -51.818185
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.538
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -89.100937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.100937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.100937 (E_RNA)
where:
Base-Base interactions energy: -41.599
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.259
local terms energy: -47.242989
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -208.300529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.300529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.300529 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -63.492
Base-Backbone interact. energy: 0.854
local terms energy: -79.768462
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -201.911561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.911561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.911561 (E_RNA)
where:
Base-Base interactions energy: -125.968
where: short stacking energy: -64.295
Base-Backbone interact. energy: -0.017
local terms energy: -75.926094
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -194.043472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.043472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.043472 (E_RNA)
where:
Base-Base interactions energy: -122.907
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.004
local terms energy: -71.132801
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -166.822638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.822638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822638 (E_RNA)
where:
Base-Base interactions energy: -99.450
where: short stacking energy: -47.949
Base-Backbone interact. energy: -0.137
local terms energy: -67.235058
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -16.387
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -190.662915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.662915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.662915 (E_RNA)
where:
Base-Base interactions energy: -124.285
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.056
local terms energy: -66.321947
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -89.959111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959111 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -19.876
Base-Backbone interact. energy: 0.172
local terms energy: -54.749508
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.125
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -92.156827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.156827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.156827 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.125
local terms energy: -56.716446
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -9.535
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: 233
Temperature: 1.250000
Total energy: -81.819179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.819179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.819179 (E_RNA)
where:
Base-Base interactions energy: -24.454
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.298
local terms energy: -57.066549
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -73.463995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.463995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.463995 (E_RNA)
where:
Base-Base interactions energy: -19.877
where: short stacking energy: -19.150
Base-Backbone interact. energy: -0.621
local terms energy: -52.965977
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -69.831415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.831415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.831415 (E_RNA)
where:
Base-Base interactions energy: -23.811
where: short stacking energy: -23.811
Base-Backbone interact. energy: -0.230
local terms energy: -45.790065
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -210.532801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.532801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.532801 (E_RNA)
where:
Base-Base interactions energy: -132.364
where: short stacking energy: -52.200
Base-Backbone interact. energy: -0.191
local terms energy: -77.977693
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -194.926043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926043 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.001
local terms energy: -70.785476
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -206.511687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.511687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.511687 (E_RNA)
where:
Base-Base interactions energy: -134.872
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.596
local terms energy: -71.044040
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -16.399
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: 234
Temperature: 1.050000
Total energy: -172.816714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.816714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.816714 (E_RNA)
where:
Base-Base interactions energy: -103.262
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.031
local terms energy: -69.523469
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -17.561
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -192.993147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993147 (E_RNA)
where:
Base-Base interactions energy: -116.667
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.000
local terms energy: -76.325263
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.305
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: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -98.738470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.738470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.738470 (E_RNA)
where:
Base-Base interactions energy: -40.583
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.118
local terms energy: -58.037347
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -80.577024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.577024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.577024 (E_RNA)
where:
Base-Base interactions energy: -30.492
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.169
local terms energy: -49.916310
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -80.100155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.100155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.100155 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -18.046
Base-Backbone interact. energy: -0.047
local terms energy: -51.892126
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: 4.499
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: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -75.936510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.936510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.936510 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.082
local terms energy: -40.689711
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -74.109251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.109251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.109251 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.149
local terms energy: -47.403417
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -213.734465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.734465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734465 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.137
local terms energy: -76.922967
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.211
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: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -209.943912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.943912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.943912 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.014
local terms energy: -79.704483
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -193.782755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.782755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.782755 (E_RNA)
where:
Base-Base interactions energy: -121.528
where: short stacking energy: -52.141
Base-Backbone interact. energy: -1.148
local terms energy: -71.106519
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -14.653
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: 235
Temperature: 1.050000
Total energy: -196.577106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577106 (E_RNA)
where:
Base-Base interactions energy: -126.581
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.161
local terms energy: -69.835377
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -167.764694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764694 (E_RNA)
where:
Base-Base interactions energy: -98.151
where: short stacking energy: -49.456
Base-Backbone interact. energy: -0.154
local terms energy: -69.460090
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -15.856
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: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -100.698069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.698069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.698069 (E_RNA)
where:
Base-Base interactions energy: -55.214
where: short stacking energy: -28.136
Base-Backbone interact. energy: -0.187
local terms energy: -45.296558
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -92.844477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.844477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.844477 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.031
local terms energy: -64.306903
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -89.553306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553306 (E_RNA)
where:
Base-Base interactions energy: -41.750
where: short stacking energy: -28.921
Base-Backbone interact. energy: -0.269
local terms energy: -47.534250
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -9.268
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: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -76.745270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.745270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.745270 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.049
local terms energy: -44.588461
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -5.800
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -89.003840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.003840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.003840 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.275
local terms energy: -53.343625
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -207.987822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.987822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.987822 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -67.592
Base-Backbone interact. energy: 0.225
local terms energy: -71.582646
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -205.614887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614887 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.003
local terms energy: -72.861324
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -196.414695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.414695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.414695 (E_RNA)
where:
Base-Base interactions energy: -119.243
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.063
local terms energy: -77.108842
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -186.844654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.844654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.844654 (E_RNA)
where:
Base-Base interactions energy: -120.848
where: short stacking energy: -53.027
Base-Backbone interact. energy: -0.081
local terms energy: -65.915201
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -159.285637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.285637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.285637 (E_RNA)
where:
Base-Base interactions energy: -106.123
where: short stacking energy: -52.202
Base-Backbone interact. energy: 0.880
local terms energy: -54.042884
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -91.553837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553837 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.087
local terms energy: -54.551306
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -1.625
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -98.466150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.466150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.466150 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -40.423
Base-Backbone interact. energy: -0.125
local terms energy: -57.918134
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -75.447379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.447379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.447379 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.694
local terms energy: -48.765122
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -5.834
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: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.510720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.510720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.510720 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -29.469
Base-Backbone interact. energy: -0.435
local terms energy: -49.785906
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -9.160
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: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -75.565065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.565065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.565065 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.218
local terms energy: -51.153076
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -7.538
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: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -216.607298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.607298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.607298 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -67.794
Base-Backbone interact. energy: 0.022
local terms energy: -77.745495
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -218.381625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.381625 (E_RNA)
where:
Base-Base interactions energy: -140.817
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.032
local terms energy: -77.532696
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -7.816
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: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -207.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.266574 (E_RNA)
where:
Base-Base interactions energy: -130.076
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.127
local terms energy: -77.064199
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -186.599178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.599178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.599178 (E_RNA)
where:
Base-Base interactions energy: -123.773
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.003
local terms energy: -62.822888
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.569
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: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -158.836182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.836182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.836182 (E_RNA)
where:
Base-Base interactions energy: -88.811
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.073
local terms energy: -69.951967
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -13.047
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: 237
Temperature: 1.150000
Total energy: -86.119039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.119039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.119039 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.132
local terms energy: -57.460338
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -8.534
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -88.412131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412131 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -28.832
Base-Backbone interact. energy: 0.590
local terms energy: -59.124651
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -82.796071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.796071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.796071 (E_RNA)
where:
Base-Base interactions energy: -25.821
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.156
local terms energy: -56.819812
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -77.521261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.521261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.521261 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.153
local terms energy: -44.921291
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -3.163
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: 237
Temperature: 1.350000
Total energy: -76.844882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844882 (E_RNA)
where:
Base-Base interactions energy: -28.147
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.266
local terms energy: -48.432225
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -3.823
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -218.576301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.576301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.576301 (E_RNA)
where:
Base-Base interactions energy: -143.651
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.000
local terms energy: -74.924421
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -20.620
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: 238
Temperature: 0.950000
Total energy: -202.411623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.411623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.411623 (E_RNA)
where:
Base-Base interactions energy: -126.262
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.003
local terms energy: -76.146909
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -206.473829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473829 (E_RNA)
where:
Base-Base interactions energy: -129.133
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.039
local terms energy: -77.301868
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -187.980416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.980416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.980416 (E_RNA)
where:
Base-Base interactions energy: -116.304
where: short stacking energy: -55.308
Base-Backbone interact. energy: -1.113
local terms energy: -70.563290
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -18.742
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: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -160.486088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.486088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.486088 (E_RNA)
where:
Base-Base interactions energy: -100.912
where: short stacking energy: -46.510
Base-Backbone interact. energy: -0.415
local terms energy: -59.158976
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -97.516477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516477 (E_RNA)
where:
Base-Base interactions energy: -42.052
where: short stacking energy: -30.849
Base-Backbone interact. energy: -0.173
local terms energy: -55.290616
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -85.681958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681958 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.134
local terms energy: -55.136212
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.343401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343401 (E_RNA)
where:
Base-Base interactions energy: -27.352
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.282
local terms energy: -57.708966
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -7.768
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: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -67.567932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.567932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.567932 (E_RNA)
where:
Base-Base interactions energy: -19.218
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.002
local terms energy: -48.347917
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -7.487
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -79.567676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567676 (E_RNA)
where:
Base-Base interactions energy: -26.380
where: short stacking energy: -23.949
Base-Backbone interact. energy: 1.643
local terms energy: -54.830684
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -2.053
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: 239
Temperature: 0.900000
Total energy: -217.185416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185416 (E_RNA)
where:
Base-Base interactions energy: -141.910
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.000
local terms energy: -75.275253
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -205.242325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.242325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.242325 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.243
local terms energy: -70.024847
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -202.202048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.202048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.202048 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.024
local terms energy: -70.056153
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.310
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -173.823961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.823961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.823961 (E_RNA)
where:
Base-Base interactions energy: -104.815
where: short stacking energy: -48.588
Base-Backbone interact. energy: -0.184
local terms energy: -68.824909
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -9.512
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -186.315219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.315219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.315219 (E_RNA)
where:
Base-Base interactions energy: -115.695
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.717
local terms energy: -69.903595
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -91.929733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.929733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.929733 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.154
local terms energy: -57.081281
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -8.123
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -90.101620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101620 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -26.872
Base-Backbone interact. energy: 2.483
local terms energy: -57.085857
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -82.078037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.078037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.078037 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.013
local terms energy: -54.355743
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -71.563452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.563452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.563452 (E_RNA)
where:
Base-Base interactions energy: -24.828
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.394
local terms energy: -46.341508
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -77.325129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.325129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.325129 (E_RNA)
where:
Base-Base interactions energy: -24.381
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.119
local terms energy: -52.825292
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -8.242
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -209.794521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794521 (E_RNA)
where:
Base-Base interactions energy: -135.715
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.001
local terms energy: -74.078415
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -203.974264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.974264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.974264 (E_RNA)
where:
Base-Base interactions energy: -124.443
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.087
local terms energy: -79.443929
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.468
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: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -196.686565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.686565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.686565 (E_RNA)
where:
Base-Base interactions energy: -131.003
where: short stacking energy: -61.172
Base-Backbone interact. energy: -0.002
local terms energy: -65.681136
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -184.274345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274345 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.080
local terms energy: -72.311325
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -12.007
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: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -194.190493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.190493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.190493 (E_RNA)
where:
Base-Base interactions energy: -120.194
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.008
local terms energy: -73.988307
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -101.372198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.372198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.372198 (E_RNA)
where:
Base-Base interactions energy: -43.153
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.160
local terms energy: -58.059075
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -6.868
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: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -85.319993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319993 (E_RNA)
where:
Base-Base interactions energy: -24.092
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.093
local terms energy: -61.134326
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -73.261321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.261321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.261321 (E_RNA)
where:
Base-Base interactions energy: -26.829
where: short stacking energy: -26.829
Base-Backbone interact. energy: 1.101
local terms energy: -47.532915
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -81.040000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.040000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.040000 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -23.261
Base-Backbone interact. energy: -0.689
local terms energy: -44.885965
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -2.027
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: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -70.326355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.326355 (E_RNA)
where:
Base-Base interactions energy: -15.413
where: short stacking energy: -12.765
Base-Backbone interact. energy: -0.337
local terms energy: -54.576453
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.102
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: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -212.284025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.284025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284025 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.002
local terms energy: -78.509083
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -204.558038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.558038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.558038 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -54.689
Base-Backbone interact. energy: -0.908
local terms energy: -80.467388
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -202.400644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.400644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.400644 (E_RNA)
where:
Base-Base interactions energy: -124.783
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.358
local terms energy: -77.259876
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -196.256039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.256039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.256039 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.423
local terms energy: -71.117071
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -181.003717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.003717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.003717 (E_RNA)
where:
Base-Base interactions energy: -115.136
where: short stacking energy: -53.825
Base-Backbone interact. energy: -0.017
local terms energy: -65.850105
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -15.545
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: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -108.114047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.114047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.114047 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -46.856
Base-Backbone interact. energy: 1.093
local terms energy: -52.184997
where:
bonds (distance) C4'-P energy: -5.884
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -92.442883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.442883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.442883 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -20.902
Base-Backbone interact. energy: -0.365
local terms energy: -49.666272
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -78.124979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.124979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.124979 (E_RNA)
where:
Base-Base interactions energy: -30.806
where: short stacking energy: -23.764
Base-Backbone interact. energy: 0.206
local terms energy: -47.524806
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -7.286
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -4.431
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -77.432421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432421 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -23.836
Base-Backbone interact. energy: -1.500
local terms energy: -45.078761
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -75.504132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.504132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.504132 (E_RNA)
where:
Base-Base interactions energy: -22.102
where: short stacking energy: -22.102
Base-Backbone interact. energy: -1.104
local terms energy: -52.297881
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -5.017
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: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -212.090023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.090023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.090023 (E_RNA)
where:
Base-Base interactions energy: -137.243
where: short stacking energy: -70.050
Base-Backbone interact. energy: 0.177
local terms energy: -75.024389
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -200.067599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.067599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.067599 (E_RNA)
where:
Base-Base interactions energy: -125.292
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.047
local terms energy: -74.728105
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -190.046485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046485 (E_RNA)
where:
Base-Base interactions energy: -121.467
where: short stacking energy: -66.310
Base-Backbone interact. energy: -0.008
local terms energy: -68.572134
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -21.537
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: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -192.681827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.681827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681827 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -57.020
Base-Backbone interact. energy: 0.510
local terms energy: -64.645566
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -174.007650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.007650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.007650 (E_RNA)
where:
Base-Base interactions energy: -112.002
where: short stacking energy: -48.839
Base-Backbone interact. energy: -0.199
local terms energy: -61.807079
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -17.309
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -85.196600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.196600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.196600 (E_RNA)
where:
Base-Base interactions energy: -27.482
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.051
local terms energy: -57.663191
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -84.665113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.665113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.665113 (E_RNA)
where:
Base-Base interactions energy: -25.582
where: short stacking energy: -25.582
Base-Backbone interact. energy: -0.072
local terms energy: -59.011015
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -96.735750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.735750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.735750 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -31.536
Base-Backbone interact. energy: 0.058
local terms energy: -59.708111
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -5.886
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: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -77.867466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.867466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.867466 (E_RNA)
where:
Base-Base interactions energy: -18.936
where: short stacking energy: -18.213
Base-Backbone interact. energy: -0.083
local terms energy: -58.849316
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -4.308
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -77.254293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254293 (E_RNA)
where:
Base-Base interactions energy: -26.168
where: short stacking energy: -25.425
Base-Backbone interact. energy: 0.945
local terms energy: -52.031662
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -4.043
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: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -213.551430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.551430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.551430 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.186
local terms energy: -77.390361
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -205.130974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.130974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.130974 (E_RNA)
where:
Base-Base interactions energy: -129.239
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.002
local terms energy: -75.889498
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -184.493857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.493857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.493857 (E_RNA)
where:
Base-Base interactions energy: -115.577
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.062
local terms energy: -68.855101
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -11.775
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: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -185.519636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519636 (E_RNA)
where:
Base-Base interactions energy: -109.452
where: short stacking energy: -49.517
Base-Backbone interact. energy: -2.158
local terms energy: -73.909801
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -189.090228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.090228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.090228 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -56.586
Base-Backbone interact. energy: -1.542
local terms energy: -66.494794
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -11.626
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -91.330699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330699 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.058
local terms energy: -54.635401
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -7.445
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: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -90.589967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.589967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.589967 (E_RNA)
where:
Base-Base interactions energy: -47.330
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.034
local terms energy: -43.226372
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -84.479421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.479421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.479421 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.148
local terms energy: -52.240419
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -75.496892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.496892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.496892 (E_RNA)
where:
Base-Base interactions energy: -24.724
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.206
local terms energy: -50.566965
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -6.795
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -76.712186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712186 (E_RNA)
where:
Base-Base interactions energy: -23.976
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.367
local terms energy: -52.369073
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -215.459421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.459421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.459421 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.042
local terms energy: -82.398904
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -208.258743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.258743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.258743 (E_RNA)
where:
Base-Base interactions energy: -127.938
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.020
local terms energy: -80.300625
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -14.431
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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -202.826497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826497 (E_RNA)
where:
Base-Base interactions energy: -139.691
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.193
local terms energy: -62.941734
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -177.796835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.796835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.796835 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.000
local terms energy: -73.660908
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -15.927
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: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -191.356828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.356828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.356828 (E_RNA)
where:
Base-Base interactions energy: -119.515
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.001
local terms energy: -71.840976
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -85.485549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485549 (E_RNA)
where:
Base-Base interactions energy: -37.272
where: short stacking energy: -23.640
Base-Backbone interact. energy: 0.365
local terms energy: -48.578532
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -92.479942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.479942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.479942 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -24.507
Base-Backbone interact. energy: 0.109
local terms energy: -52.108845
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -3.483
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: 244
Temperature: 1.250000
Total energy: -81.333877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333877 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -21.108
Base-Backbone interact. energy: -0.120
local terms energy: -49.610227
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -69.433278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.433278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.433278 (E_RNA)
where:
Base-Base interactions energy: -25.545
where: short stacking energy: -17.543
Base-Backbone interact. energy: -0.002
local terms energy: -43.886372
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -2.245
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: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -73.505446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.505446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.505446 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -31.431
Base-Backbone interact. energy: -0.538
local terms energy: -39.330466
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -5.173
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: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -208.558855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.558855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.558855 (E_RNA)
where:
Base-Base interactions energy: -132.364
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.000
local terms energy: -76.194149
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -216.652178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.652178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.652178 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.375
local terms energy: -68.823876
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -16.371
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: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -200.446256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.446256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.446256 (E_RNA)
where:
Base-Base interactions energy: -134.716
where: short stacking energy: -55.751
Base-Backbone interact. energy: 0.078
local terms energy: -65.807479
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -4.265
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -189.979257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.979257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.979257 (E_RNA)
where:
Base-Base interactions energy: -120.132
where: short stacking energy: -54.688
Base-Backbone interact. energy: -0.018
local terms energy: -69.829467
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -18.532
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: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -202.918605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918605 (E_RNA)
where:
Base-Base interactions energy: -128.952
where: short stacking energy: -57.238
Base-Backbone interact. energy: -0.001
local terms energy: -73.965130
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -12.598
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -92.134783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134783 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -18.352
Base-Backbone interact. energy: -1.008
local terms energy: -52.517820
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: 2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -82.112184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.112184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.112184 (E_RNA)
where:
Base-Base interactions energy: -33.738
where: short stacking energy: -8.872
Base-Backbone interact. energy: -0.892
local terms energy: -47.481760
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -73.536122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.536122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.536122 (E_RNA)
where:
Base-Base interactions energy: -19.383
where: short stacking energy: -19.250
Base-Backbone interact. energy: -0.422
local terms energy: -53.731538
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -0.255
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -80.305743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.305743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.305743 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -18.135
Base-Backbone interact. energy: -0.140
local terms energy: -52.525648
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: 1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -77.313959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.313959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.313959 (E_RNA)
where:
Base-Base interactions energy: -36.598
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.106
local terms energy: -40.609503
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -222.971772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.971772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.971772 (E_RNA)
where:
Base-Base interactions energy: -148.243
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.412
local terms energy: -74.316509
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -210.456814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456814 (E_RNA)
where:
Base-Base interactions energy: -134.825
where: short stacking energy: -69.054
Base-Backbone interact. energy: -0.010
local terms energy: -75.622372
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -203.439466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.439466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.439466 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.384
local terms energy: -75.017381
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -202.154417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.154417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.154417 (E_RNA)
where:
Base-Base interactions energy: -131.202
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.096
local terms energy: -70.856781
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -185.622543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.622543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.622543 (E_RNA)
where:
Base-Base interactions energy: -118.699
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.053
local terms energy: -66.870963
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -86.923333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.923333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.923333 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.109
local terms energy: -51.470372
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -91.830846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830846 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -22.310
Base-Backbone interact. energy: 1.360
local terms energy: -51.011258
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.587
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: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -77.925097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925097 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -26.235
Base-Backbone interact. energy: -0.254
local terms energy: -47.364586
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.702
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -76.791789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.791789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.791789 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -14.856
Base-Backbone interact. energy: -0.272
local terms energy: -35.523785
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -72.994172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.994172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.994172 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -23.887
Base-Backbone interact. energy: -0.566
local terms energy: -45.835214
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -224.891638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.891638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.891638 (E_RNA)
where:
Base-Base interactions energy: -155.140
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.095
local terms energy: -69.656444
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -15.107
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: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -208.273475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.273475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.273475 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.138
local terms energy: -79.844520
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -205.238862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238862 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.070
local terms energy: -73.864623
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -196.275757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.275757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.275757 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.032
local terms energy: -76.404654
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -172.572192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.572192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.572192 (E_RNA)
where:
Base-Base interactions energy: -106.167
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.310
local terms energy: -66.094577
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -11.689
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -88.700716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.700716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.700716 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.284
local terms energy: -55.798830
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -80.613178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.613178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.613178 (E_RNA)
where:
Base-Base interactions energy: -30.669
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.220
local terms energy: -49.723324
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -84.404678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404678 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.193
local terms energy: -52.202706
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -8.323
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.237271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.237271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.237271 (E_RNA)
where:
Base-Base interactions energy: -27.701
where: short stacking energy: -21.591
Base-Backbone interact. energy: -0.185
local terms energy: -57.351374
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -0.091
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -74.238900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.238900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.238900 (E_RNA)
where:
Base-Base interactions energy: -27.035
where: short stacking energy: -23.676
Base-Backbone interact. energy: 1.134
local terms energy: -48.338725
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -206.451026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.451026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.451026 (E_RNA)
where:
Base-Base interactions energy: -134.525
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.080
local terms energy: -71.845732
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -5.207
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: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -221.975042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.975042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.975042 (E_RNA)
where:
Base-Base interactions energy: -152.018
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.348
local terms energy: -69.609200
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -199.879992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.879992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.879992 (E_RNA)
where:
Base-Base interactions energy: -125.510
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.034
local terms energy: -74.335909
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -204.980548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.980548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.980548 (E_RNA)
where:
Base-Base interactions energy: -129.574
where: short stacking energy: -61.219
Base-Backbone interact. energy: -0.321
local terms energy: -75.085192
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -165.813839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.813839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.813839 (E_RNA)
where:
Base-Base interactions energy: -102.066
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.001
local terms energy: -63.747182
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -13.612
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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -92.196134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.196134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.196134 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -34.126
Base-Backbone interact. energy: -0.416
local terms energy: -57.653852
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -81.551465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.551465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.551465 (E_RNA)
where:
Base-Base interactions energy: -30.979
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.167
local terms energy: -50.405293
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -6.029
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -85.633664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633664 (E_RNA)
where:
Base-Base interactions energy: -26.482
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.119
local terms energy: -59.032561
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -3.945
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: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -64.829872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.829872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.829872 (E_RNA)
where:
Base-Base interactions energy: -24.839
where: short stacking energy: -18.341
Base-Backbone interact. energy: -0.246
local terms energy: -39.744694
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.199120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.199120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.199120 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -21.561
Base-Backbone interact. energy: -0.341
local terms energy: -40.333109
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -2.541
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -213.124583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.124583 (E_RNA)
where:
Base-Base interactions energy: -136.459
where: short stacking energy: -69.779
Base-Backbone interact. energy: -0.004
local terms energy: -76.661429
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -20.282
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: 249
Temperature: 0.950000
Total energy: -208.935243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.935243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.935243 (E_RNA)
where:
Base-Base interactions energy: -133.200
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.115
local terms energy: -75.620472
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -209.134414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.134414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.134414 (E_RNA)
where:
Base-Base interactions energy: -136.932
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.743
local terms energy: -71.459237
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.323
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -184.000163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.000163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.000163 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.055
local terms energy: -69.599027
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -194.816561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.816561 (E_RNA)
where:
Base-Base interactions energy: -123.221
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.673
local terms energy: -70.922418
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -92.672277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672277 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.026
local terms energy: -59.632622
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: 0.577
tors. eta vs tors. theta energy: -12.212
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: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -93.498384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.498384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.498384 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.225
local terms energy: -45.976241
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -1.960
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: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -74.423751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.423751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.423751 (E_RNA)
where:
Base-Base interactions energy: -21.432
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.463
local terms energy: -52.527883
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -83.032889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032889 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -28.994
Base-Backbone interact. energy: 1.587
local terms energy: -51.794225
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -4.729
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: 249
Temperature: 1.350000
Total energy: -78.345532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.345532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.345532 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.095
local terms energy: -48.577300
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -215.668205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.668205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.668205 (E_RNA)
where:
Base-Base interactions energy: -136.965
where: short stacking energy: -64.234
Base-Backbone interact. energy: -1.171
local terms energy: -77.532071
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -202.445185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.445185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.445185 (E_RNA)
where:
Base-Base interactions energy: -128.030
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.007
local terms energy: -74.408940
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -201.584218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.584218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.584218 (E_RNA)
where:
Base-Base interactions energy: -132.983
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.111
local terms energy: -68.490554
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -189.426722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.426722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.426722 (E_RNA)
where:
Base-Base interactions energy: -115.165
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.674
local terms energy: -73.588085
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -193.458441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.458441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.458441 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.324
local terms energy: -70.796765
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -93.507619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.507619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.507619 (E_RNA)
where:
Base-Base interactions energy: -41.785
where: short stacking energy: -35.934
Base-Backbone interact. energy: -0.159
local terms energy: -51.563324
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -92.331915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.331915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.331915 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.017
local terms energy: -57.251494
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -85.399231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.399231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.399231 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -32.885
Base-Backbone interact. energy: 0.574
local terms energy: -51.727306
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -6.142
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -71.604384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.604384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.604384 (E_RNA)
where:
Base-Base interactions energy: -22.518
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.189
local terms energy: -48.897625
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -73.999361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.999361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.999361 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -19.601
Base-Backbone interact. energy: 1.276
local terms energy: -45.713525
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -2.307
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: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -207.454655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.454655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.454655 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.091
local terms energy: -77.960738
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -225.430511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.430511 (E_RNA)
where:
Base-Base interactions energy: -155.994
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.393
local terms energy: -69.043519
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -196.204946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.204946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.204946 (E_RNA)
where:
Base-Base interactions energy: -125.792
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.137
local terms energy: -70.275773
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -183.973726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973726 (E_RNA)
where:
Base-Base interactions energy: -117.432
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.071
local terms energy: -66.470271
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -2.985
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: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -168.235132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.235132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.235132 (E_RNA)
where:
Base-Base interactions energy: -104.619
where: short stacking energy: -53.656
Base-Backbone interact. energy: 0.271
local terms energy: -63.887473
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -86.294486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.294486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.294486 (E_RNA)
where:
Base-Base interactions energy: -27.446
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.146
local terms energy: -58.702337
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -85.552322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.552322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.552322 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -34.426
Base-Backbone interact. energy: -0.118
local terms energy: -48.534813
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -1.690
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -85.353717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.353717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.353717 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -33.019
Base-Backbone interact. energy: -0.083
local terms energy: -52.251072
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -3.177
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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -73.259206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.259206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.259206 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -28.065
Base-Backbone interact. energy: -0.152
local terms energy: -41.652425
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -8.561
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -79.027097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.027097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.027097 (E_RNA)
where:
Base-Base interactions energy: -24.708
where: short stacking energy: -23.617
Base-Backbone interact. energy: -0.011
local terms energy: -54.308752
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -221.911550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.911550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.911550 (E_RNA)
where:
Base-Base interactions energy: -153.632
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.214
local terms energy: -68.065893
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -204.834509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.834509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.834509 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -69.621
Base-Backbone interact. energy: -0.133
local terms energy: -68.554810
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.787
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: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -194.473371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.473371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.473371 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.303
local terms energy: -74.144992
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -18.744
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -195.399320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.399320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399320 (E_RNA)
where:
Base-Base interactions energy: -122.466
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.016
local terms energy: -72.916808
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -17.843
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: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -163.531966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.531966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.531966 (E_RNA)
where:
Base-Base interactions energy: -98.630
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.239
local terms energy: -64.662594
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.871
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: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -90.165318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165318 (E_RNA)
where:
Base-Base interactions energy: -29.146
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.098
local terms energy: -60.921141
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.889
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -86.332243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332243 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.080
local terms energy: -53.621644
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -85.454560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.454560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.454560 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -21.861
Base-Backbone interact. energy: -0.054
local terms energy: -52.356523
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.422
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: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -83.958220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.958220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.958220 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -34.241
Base-Backbone interact. energy: 1.293
local terms energy: -49.722302
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -86.012493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012493 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -24.667
Base-Backbone interact. energy: -1.024
local terms energy: -55.737571
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -224.937005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.937005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.937005 (E_RNA)
where:
Base-Base interactions energy: -154.296
where: short stacking energy: -53.626
Base-Backbone interact. energy: -0.449
local terms energy: -70.192088
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -15.462
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: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -208.616255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.616255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.616255 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.085
local terms energy: -76.216246
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -21.897
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: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -204.217648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.217648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.217648 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.044
local terms energy: -77.230052
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -8.530
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: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -192.584098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.584098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.584098 (E_RNA)
where:
Base-Base interactions energy: -117.778
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.074
local terms energy: -74.732021
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -9.260
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -193.534444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.534444 (E_RNA)
where:
Base-Base interactions energy: -120.565
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.004
local terms energy: -72.965871
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.515
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: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -95.240034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.240034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.240034 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -29.648
Base-Backbone interact. energy: -0.420
local terms energy: -50.197004
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -95.191137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.191137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.191137 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -26.898
Base-Backbone interact. energy: -0.100
local terms energy: -57.261367
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -77.170418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.170418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.170418 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.325
local terms energy: -44.511711
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -7.076
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: 0.737
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: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -74.333615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.333615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.333615 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -13.574
Base-Backbone interact. energy: -0.075
local terms energy: -42.932715
where:
bonds (distance) C4'-P energy: -7.145
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -8.626
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: 253
Temperature: 1.350000
Total energy: -67.365416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.365416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.365416 (E_RNA)
where:
Base-Base interactions energy: -22.005
where: short stacking energy: -14.633
Base-Backbone interact. energy: -0.062
local terms energy: -45.298368
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -228.533938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533938 (E_RNA)
where:
Base-Base interactions energy: -151.134
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.322
local terms energy: -77.078054
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -212.465494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465494 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.008
local terms energy: -81.077223
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -205.167256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.167256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.167256 (E_RNA)
where:
Base-Base interactions energy: -132.077
where: short stacking energy: -63.345
Base-Backbone interact. energy: 0.292
local terms energy: -73.382248
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -193.078582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.078582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.078582 (E_RNA)
where:
Base-Base interactions energy: -125.229
where: short stacking energy: -56.030
Base-Backbone interact. energy: -0.102
local terms energy: -67.747141
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.177161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.177161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177161 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.030
local terms energy: -70.875429
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -100.550369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.550369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.550369 (E_RNA)
where:
Base-Base interactions energy: -40.573
where: short stacking energy: -24.125
Base-Backbone interact. energy: -0.241
local terms energy: -59.736347
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -5.826
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: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -91.731470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.731470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.731470 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.367
local terms energy: -54.949547
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -4.824
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: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -89.379374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.379374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.379374 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.147
local terms energy: -56.288434
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -5.402
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: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -87.606106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606106 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -15.613
Base-Backbone interact. energy: -0.495
local terms energy: -49.106896
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: 0.293
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: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -84.400228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.400228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.400228 (E_RNA)
where:
Base-Base interactions energy: -33.976
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.027
local terms energy: -50.397949
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -226.189057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.189057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.189057 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.337
local terms energy: -71.893987
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -213.115897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.115897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.115897 (E_RNA)
where:
Base-Base interactions energy: -130.714
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.598
local terms energy: -81.803420
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -199.604170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.604170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604170 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.095
local terms energy: -72.474567
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -205.010780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.010780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.010780 (E_RNA)
where:
Base-Base interactions energy: -128.066
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.000
local terms energy: -76.944753
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -9.103
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -187.360107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.360107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.360107 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.081
local terms energy: -64.107320
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -6.466
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -96.589965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.589965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.589965 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -34.928
Base-Backbone interact. energy: 0.027
local terms energy: -51.084785
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -5.617
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -94.594076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.594076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.594076 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.006
local terms energy: -56.519714
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -8.172
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: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -91.994867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.994867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.994867 (E_RNA)
where:
Base-Base interactions energy: -45.185
where: short stacking energy: -22.745
Base-Backbone interact. energy: 1.063
local terms energy: -47.873159
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -4.859
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: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -78.237693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237693 (E_RNA)
where:
Base-Base interactions energy: -21.553
where: short stacking energy: -21.553
Base-Backbone interact. energy: -0.004
local terms energy: -56.680954
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -85.029377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029377 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -31.126
Base-Backbone interact. energy: -0.209
local terms energy: -48.201816
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -213.893875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893875 (E_RNA)
where:
Base-Base interactions energy: -134.093
where: short stacking energy: -65.154
Base-Backbone interact. energy: 0.174
local terms energy: -79.973922
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -11.126
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: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -214.113578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.113578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.113578 (E_RNA)
where:
Base-Base interactions energy: -149.694
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.128
local terms energy: -64.290594
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -194.734248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.734248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.734248 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.288
local terms energy: -73.284414
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -194.669962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.669962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669962 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.118
local terms energy: -64.750769
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -18.255
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: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -180.086720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086720 (E_RNA)
where:
Base-Base interactions energy: -116.443
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.071
local terms energy: -63.572336
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -18.164
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: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -118.735531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.735531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.735531 (E_RNA)
where:
Base-Base interactions energy: -53.885
where: short stacking energy: -40.775
Base-Backbone interact. energy: -0.011
local terms energy: -64.839481
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -13.748
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: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -118.332125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.332125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.332125 (E_RNA)
where:
Base-Base interactions energy: -54.372
where: short stacking energy: -26.348
Base-Backbone interact. energy: -0.345
local terms energy: -63.615078
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -82.268036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268036 (E_RNA)
where:
Base-Base interactions energy: -28.805
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.038
local terms energy: -53.424904
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -1.519
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: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -72.069638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.069638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.069638 (E_RNA)
where:
Base-Base interactions energy: -27.319
where: short stacking energy: -12.780
Base-Backbone interact. energy: 0.284
local terms energy: -45.035305
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -68.950812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.950812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.950812 (E_RNA)
where:
Base-Base interactions energy: -20.147
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.542
local terms energy: -48.262072
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: 5.429
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: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -208.881993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881993 (E_RNA)
where:
Base-Base interactions energy: -134.200
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.004
local terms energy: -74.677918
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -21.769
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: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -193.514745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.514745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.514745 (E_RNA)
where:
Base-Base interactions energy: -115.672
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.055
local terms energy: -77.787548
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -13.692
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: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -207.173155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.173155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.173155 (E_RNA)
where:
Base-Base interactions energy: -145.160
where: short stacking energy: -51.590
Base-Backbone interact. energy: -0.351
local terms energy: -61.662383
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -13.827
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -196.841643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.841643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841643 (E_RNA)
where:
Base-Base interactions energy: -123.878
where: short stacking energy: -54.646
Base-Backbone interact. energy: -0.159
local terms energy: -72.804476
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -16.202
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: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -183.441773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441773 (E_RNA)
where:
Base-Base interactions energy: -118.784
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.105
local terms energy: -64.552346
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -7.649
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: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -103.320624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.320624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.320624 (E_RNA)
where:
Base-Base interactions energy: -45.205
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.114
local terms energy: -58.000960
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -9.140
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: 257
Temperature: 1.200000
Total energy: -96.625320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.625320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.625320 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.306
local terms energy: -57.086650
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -10.518
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -81.284389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284389 (E_RNA)
where:
Base-Base interactions energy: -32.937
where: short stacking energy: -17.005
Base-Backbone interact. energy: -0.665
local terms energy: -47.682072
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -74.266981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.266981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.266981 (E_RNA)
where:
Base-Base interactions energy: -22.415
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.238
local terms energy: -51.613530
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: 0.552
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -67.744589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.744589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.744589 (E_RNA)
where:
Base-Base interactions energy: -20.307
where: short stacking energy: -19.832
Base-Backbone interact. energy: -0.189
local terms energy: -47.249160
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.779
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -208.493650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.493650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.493650 (E_RNA)
where:
Base-Base interactions energy: -129.045
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.432
local terms energy: -79.016934
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -213.635551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.635551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.635551 (E_RNA)
where:
Base-Base interactions energy: -125.995
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.535
local terms energy: -87.105420
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -206.862742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.862742 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.132
local terms energy: -73.084067
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -202.203595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203595 (E_RNA)
where:
Base-Base interactions energy: -134.287
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.746
local terms energy: -67.170940
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.957
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: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -191.669602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.669602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.669602 (E_RNA)
where:
Base-Base interactions energy: -117.388
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.575
local terms energy: -73.706901
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.637
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: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -89.927195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.927195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.927195 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -35.478
Base-Backbone interact. energy: -0.139
local terms energy: -53.255152
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -6.878
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: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -80.579124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.579124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.579124 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.242
local terms energy: -48.306214
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -81.206652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.206652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.206652 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.058
local terms energy: -49.801970
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -73.555923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.555923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.555923 (E_RNA)
where:
Base-Base interactions energy: -16.953
where: short stacking energy: -14.998
Base-Backbone interact. energy: -0.054
local terms energy: -56.549355
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -79.663372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.663372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.663372 (E_RNA)
where:
Base-Base interactions energy: -24.341
where: short stacking energy: -24.341
Base-Backbone interact. energy: -0.139
local terms energy: -55.182806
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -2.194
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: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -211.789833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.789833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.789833 (E_RNA)
where:
Base-Base interactions energy: -134.333
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.015
local terms energy: -77.441781
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -7.980
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: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -203.287622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.287622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.287622 (E_RNA)
where:
Base-Base interactions energy: -131.452
where: short stacking energy: -60.591
Base-Backbone interact. energy: -0.022
local terms energy: -71.813669
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -192.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819095 (E_RNA)
where:
Base-Base interactions energy: -123.118
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.024
local terms energy: -69.676393
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -204.667292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.667292 (E_RNA)
where:
Base-Base interactions energy: -133.735
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.198
local terms energy: -70.734734
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -22.333
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: 259
Temperature: 1.100000
Total energy: -195.695773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.695773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.695773 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -64.619
Base-Backbone interact. energy: 1.391
local terms energy: -65.643720
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.911
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -79.378979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.378979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.378979 (E_RNA)
where:
Base-Base interactions energy: -26.291
where: short stacking energy: -24.281
Base-Backbone interact. energy: -0.188
local terms energy: -52.899594
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -9.224
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: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -79.342118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.342118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.342118 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -31.447
Base-Backbone interact. energy: -1.326
local terms energy: -45.972195
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -83.907180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907180 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.129
local terms energy: -51.323198
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.667915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.667915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.667915 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.119
local terms energy: -57.096654
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.513
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: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -71.321529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.321529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.321529 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.216
local terms energy: -51.627614
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: 0.912
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: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -208.199808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.199808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.199808 (E_RNA)
where:
Base-Base interactions energy: -134.508
where: short stacking energy: -69.116
Base-Backbone interact. energy: 0.037
local terms energy: -73.728721
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.733
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: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -201.557637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.557637 (E_RNA)
where:
Base-Base interactions energy: -133.582
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.029
local terms energy: -67.945892
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -8.054
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: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -202.191275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.191275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.191275 (E_RNA)
where:
Base-Base interactions energy: -123.907
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.051
local terms energy: -78.232581
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.253
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: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -192.066970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.066970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.066970 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.039
local terms energy: -69.198322
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.616
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: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -187.925002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.925002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.925002 (E_RNA)
where:
Base-Base interactions energy: -124.725
where: short stacking energy: -46.159
Base-Backbone interact. energy: -0.886
local terms energy: -62.314085
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -86.507769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.507769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.507769 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -17.726
Base-Backbone interact. energy: -0.525
local terms energy: -50.687863
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -3.407
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: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -86.648945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648945 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -22.703
Base-Backbone interact. energy: -0.075
local terms energy: -55.980271
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -83.187496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187496 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -29.324
Base-Backbone interact. energy: -0.080
local terms energy: -49.320781
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.660411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.660411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.660411 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -17.727
Base-Backbone interact. energy: -0.833
local terms energy: -48.326751
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -68.968418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.968418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.968418 (E_RNA)
where:
Base-Base interactions energy: -23.386
where: short stacking energy: -13.906
Base-Backbone interact. energy: -0.205
local terms energy: -45.376849
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -10.764
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: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -211.616058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.616058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.616058 (E_RNA)
where:
Base-Base interactions energy: -135.280
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.007
local terms energy: -76.329333
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -206.637053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.637053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.637053 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.080
local terms energy: -77.891906
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -193.044679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.044679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.044679 (E_RNA)
where:
Base-Base interactions energy: -128.612
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.264
local terms energy: -64.168269
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -203.047198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.047198 (E_RNA)
where:
Base-Base interactions energy: -131.743
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.145
local terms energy: -71.159430
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -187.656187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.656187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.656187 (E_RNA)
where:
Base-Base interactions energy: -118.839
where: short stacking energy: -53.606
Base-Backbone interact. energy: -0.099
local terms energy: -68.717569
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -8.399
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: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -103.939455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.939455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.939455 (E_RNA)
where:
Base-Base interactions energy: -48.459
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.553
local terms energy: -54.927321
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -83.400427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.400427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.400427 (E_RNA)
where:
Base-Base interactions energy: -24.391
where: short stacking energy: -23.151
Base-Backbone interact. energy: 0.407
local terms energy: -59.416773
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -79.367072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.367072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.367072 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.248
local terms energy: -51.089920
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.027
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: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.766336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766336 (E_RNA)
where:
Base-Base interactions energy: -22.249
where: short stacking energy: -22.249
Base-Backbone interact. energy: -0.216
local terms energy: -58.301332
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -1.838
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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -79.274450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.274450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.274450 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -15.123
Base-Backbone interact. energy: 0.512
local terms energy: -46.933310
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.959
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: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -205.598076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.598076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.598076 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.491
local terms energy: -73.924420
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.578
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: 262
Temperature: 0.950000
Total energy: -203.572532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.572532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.572532 (E_RNA)
where:
Base-Base interactions energy: -124.945
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.707
local terms energy: -77.921458
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -12.291
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: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -214.000647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.000647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.000647 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.174
local terms energy: -73.331936
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -15.682
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: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -176.541195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.541195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.541195 (E_RNA)
where:
Base-Base interactions energy: -103.176
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.176
local terms energy: -73.189546
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -198.848685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.848685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848685 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.302
local terms energy: -72.947349
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -95.694970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.694970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.694970 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.158
local terms energy: -55.036667
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -91.491222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491222 (E_RNA)
where:
Base-Base interactions energy: -41.257
where: short stacking energy: -31.919
Base-Backbone interact. energy: -0.225
local terms energy: -50.009084
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.171
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: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -82.016614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016614 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -21.900
Base-Backbone interact. energy: -0.038
local terms energy: -60.078591
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -12.571
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: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -78.266577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.266577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.266577 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -15.586
Base-Backbone interact. energy: 0.590
local terms energy: -47.239686
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -9.907
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -69.029753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.029753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.029753 (E_RNA)
where:
Base-Base interactions energy: -20.153
where: short stacking energy: -20.153
Base-Backbone interact. energy: -0.265
local terms energy: -48.610823
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -2.727
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: 263
Temperature: 0.900000
Total energy: -213.907198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907198 (E_RNA)
where:
Base-Base interactions energy: -140.792
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.008
local terms energy: -73.108132
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -212.838532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.838532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.838532 (E_RNA)
where:
Base-Base interactions energy: -143.962
where: short stacking energy: -55.033
Base-Backbone interact. energy: -0.369
local terms energy: -68.507021
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -215.343779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.343779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.343779 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.003
local terms energy: -82.410872
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -183.525323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.525323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.525323 (E_RNA)
where:
Base-Base interactions energy: -115.405
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.030
local terms energy: -68.091135
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.972
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: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -176.610195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.610195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.610195 (E_RNA)
where:
Base-Base interactions energy: -116.207
where: short stacking energy: -54.847
Base-Backbone interact. energy: 0.969
local terms energy: -61.371607
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -100.216762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.216762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.216762 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.008
local terms energy: -62.600019
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -5.947
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: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -83.585277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585277 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.532
local terms energy: -47.743542
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -82.475268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.475268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.475268 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.455
local terms energy: -52.119985
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -90.707343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.707343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.707343 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -31.908
Base-Backbone interact. energy: -0.033
local terms energy: -58.765625
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -77.607744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.607744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.607744 (E_RNA)
where:
Base-Base interactions energy: -27.100
where: short stacking energy: -20.188
Base-Backbone interact. energy: -0.090
local terms energy: -50.418105
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -219.315969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.315969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.315969 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.309
local terms energy: -68.035736
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -16.955
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: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -207.765870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.765870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.765870 (E_RNA)
where:
Base-Base interactions energy: -132.313
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.205
local terms energy: -75.247918
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -13.232
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: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -210.524032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.524032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.524032 (E_RNA)
where:
Base-Base interactions energy: -133.334
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.001
local terms energy: -77.188830
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -192.314593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.314593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.314593 (E_RNA)
where:
Base-Base interactions energy: -119.077
where: short stacking energy: -59.509
Base-Backbone interact. energy: 0.742
local terms energy: -73.980214
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -195.721916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.721916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.721916 (E_RNA)
where:
Base-Base interactions energy: -125.909
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.019
local terms energy: -69.794088
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -6.317
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: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -89.395746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395746 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -34.303
Base-Backbone interact. energy: -0.018
local terms energy: -54.455676
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -6.224
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -99.439873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.439873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.439873 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -31.648
Base-Backbone interact. energy: -0.091
local terms energy: -56.181755
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -80.102209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.102209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.102209 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -27.862
Base-Backbone interact. energy: 0.855
local terms energy: -52.269802
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -5.278
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -83.263264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.263264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.263264 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -26.721
Base-Backbone interact. energy: -0.258
local terms energy: -55.896469
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -77.832895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832895 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -33.029
Base-Backbone interact. energy: -0.056
local terms energy: -44.747431
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -6.257
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -215.505807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.505807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.505807 (E_RNA)
where:
Base-Base interactions energy: -139.300
where: short stacking energy: -63.163
Base-Backbone interact. energy: 0.594
local terms energy: -76.799819
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -18.258
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: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -203.903742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.903742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.903742 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.405
local terms energy: -76.500007
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -203.339310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.339310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.339310 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.126
local terms energy: -75.975265
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.847
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: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -200.164808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.164808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.164808 (E_RNA)
where:
Base-Base interactions energy: -129.979
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.397
local terms energy: -69.788483
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -8.590
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: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -182.924038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.924038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.924038 (E_RNA)
where:
Base-Base interactions energy: -107.733
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.000
local terms energy: -75.190302
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -19.853
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: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -99.889272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.889272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.889272 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -33.666
Base-Backbone interact. energy: -1.362
local terms energy: -45.360923
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -83.927469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.927469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.927469 (E_RNA)
where:
Base-Base interactions energy: -38.531
where: short stacking energy: -35.176
Base-Backbone interact. energy: 0.486
local terms energy: -45.882604
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -83.652086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652086 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -33.958
Base-Backbone interact. energy: 1.882
local terms energy: -51.576424
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.139
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: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -80.434752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.434752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.434752 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -23.018
Base-Backbone interact. energy: -0.477
local terms energy: -54.214447
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.786
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: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -84.151628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.151628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.151628 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -31.959
Base-Backbone interact. energy: -0.458
local terms energy: -47.602046
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -1.880
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -211.082333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.082333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.082333 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.156
local terms energy: -79.264959
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -213.590833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590833 (E_RNA)
where:
Base-Base interactions energy: -132.399
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.320
local terms energy: -80.870956
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -209.284494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.284494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.284494 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.093
local terms energy: -70.560132
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.886
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: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -190.873192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.873192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.873192 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.746
local terms energy: -77.704515
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -19.161
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: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -180.004687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.004687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.004687 (E_RNA)
where:
Base-Base interactions energy: -112.099
where: short stacking energy: -51.624
Base-Backbone interact. energy: -0.184
local terms energy: -67.722146
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -106.129260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.129260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.129260 (E_RNA)
where:
Base-Base interactions energy: -54.051
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.113
local terms energy: -51.965601
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -4.212
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: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -82.475665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.475665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.475665 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.533
local terms energy: -49.653425
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -2.844
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: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -86.374944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.374944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.374944 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -33.063
Base-Backbone interact. energy: -1.200
local terms energy: -50.841554
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -4.000
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: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -84.791849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.791849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.791849 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -18.248
Base-Backbone interact. energy: 1.409
local terms energy: -50.617300
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -73.577986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.577986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.577986 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -26.470
Base-Backbone interact. energy: -0.048
local terms energy: -44.910448
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -211.270418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.270418 (E_RNA)
where:
Base-Base interactions energy: -130.330
where: short stacking energy: -62.054
Base-Backbone interact. energy: -1.075
local terms energy: -79.865197
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -214.032966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.032966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.032966 (E_RNA)
where:
Base-Base interactions energy: -146.067
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.139
local terms energy: -67.826481
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -202.092412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.092412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.092412 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.093
local terms energy: -79.731161
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -195.637451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.637451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.637451 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.331
local terms energy: -69.874675
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -16.264
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: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -201.366451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.366451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.366451 (E_RNA)
where:
Base-Base interactions energy: -137.045
where: short stacking energy: -62.010
Base-Backbone interact. energy: 0.591
local terms energy: -64.912494
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -94.705875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.705875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.705875 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.202
local terms energy: -57.230080
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -10.474
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: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -97.420813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.420813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.420813 (E_RNA)
where:
Base-Base interactions energy: -37.226
where: short stacking energy: -17.119
Base-Backbone interact. energy: -0.402
local terms energy: -59.792959
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -2.211
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: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -103.521234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.521234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.521234 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -45.598
Base-Backbone interact. energy: -0.118
local terms energy: -57.460532
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -83.538295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.538295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.538295 (E_RNA)
where:
Base-Base interactions energy: -25.932
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.450
local terms energy: -57.155524
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -81.395170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.395170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.395170 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.062
local terms energy: -48.508952
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.578
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: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -211.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598123 (E_RNA)
where:
Base-Base interactions energy: -130.001
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.402
local terms energy: -81.195343
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -224.072281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.072281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.072281 (E_RNA)
where:
Base-Base interactions energy: -152.428
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.510
local terms energy: -71.134341
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -187.338741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.338741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.338741 (E_RNA)
where:
Base-Base interactions energy: -118.324
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.003
local terms energy: -69.012243
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -185.869860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.869860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.869860 (E_RNA)
where:
Base-Base interactions energy: -112.596
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.722
local terms energy: -72.551879
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.774
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -190.028460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.028460 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -64.605
Base-Backbone interact. energy: -0.005
local terms energy: -69.479125
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -101.380530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.380530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.380530 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.647
local terms energy: -59.498401
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -11.901
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: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -86.429324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429324 (E_RNA)
where:
Base-Base interactions energy: -33.294
where: short stacking energy: -30.919
Base-Backbone interact. energy: 0.312
local terms energy: -53.446481
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -94.707946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.707946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.707946 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -22.959
Base-Backbone interact. energy: -1.143
local terms energy: -54.190800
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -4.988
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: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -70.568779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.568779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.568779 (E_RNA)
where:
Base-Base interactions energy: -20.418
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.975
local terms energy: -49.175838
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -71.812638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.812638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.812638 (E_RNA)
where:
Base-Base interactions energy: -28.317
where: short stacking energy: -22.209
Base-Backbone interact. energy: -0.287
local terms energy: -43.208229
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -5.050
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: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -211.265510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.265510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.265510 (E_RNA)
where:
Base-Base interactions energy: -130.103
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.033
local terms energy: -81.129413
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -229.261105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.261105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.261105 (E_RNA)
where:
Base-Base interactions energy: -161.214
where: short stacking energy: -63.075
Base-Backbone interact. energy: -0.006
local terms energy: -68.040527
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -15.602
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -200.016445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.016445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.016445 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.128
local terms energy: -75.522559
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -190.045512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.045512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.045512 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -59.293
Base-Backbone interact. energy: -0.095
local terms energy: -68.161998
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -17.034
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: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -187.579819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.579819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579819 (E_RNA)
where:
Base-Base interactions energy: -126.614
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.118
local terms energy: -60.847892
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -91.724203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724203 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -22.976
Base-Backbone interact. energy: 0.404
local terms energy: -52.102197
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -2.693
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: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -81.599240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.599240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.599240 (E_RNA)
where:
Base-Base interactions energy: -25.924
where: short stacking energy: -23.535
Base-Backbone interact. energy: 0.132
local terms energy: -55.806709
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -3.676
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: 269
Temperature: 1.250000
Total energy: -86.551458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551458 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.930
local terms energy: -51.866254
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -71.056201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.056201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.056201 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -14.728
Base-Backbone interact. energy: -0.176
local terms energy: -37.983664
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -80.370729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.370729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.370729 (E_RNA)
where:
Base-Base interactions energy: -28.168
where: short stacking energy: -19.902
Base-Backbone interact. energy: -0.125
local terms energy: -52.078525
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -9.866
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: 270
Temperature: 0.900000
Total energy: -225.827650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.827650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.827650 (E_RNA)
where:
Base-Base interactions energy: -154.411
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.371
local terms energy: -71.045815
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -205.600484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600484 (E_RNA)
where:
Base-Base interactions energy: -131.772
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.014
local terms energy: -73.814729
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -9.280
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: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -202.442522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.442522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.442522 (E_RNA)
where:
Base-Base interactions energy: -123.579
where: short stacking energy: -59.028
Base-Backbone interact. energy: 0.440
local terms energy: -79.302699
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -200.028456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.028456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.028456 (E_RNA)
where:
Base-Base interactions energy: -127.119
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.079
local terms energy: -72.830928
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -17.758
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -182.590017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.590017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.590017 (E_RNA)
where:
Base-Base interactions energy: -110.830
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.043
local terms energy: -71.717270
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -16.869
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: 270
Temperature: 1.150000
Total energy: -92.621532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.621532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.621532 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -9.153
Base-Backbone interact. energy: -0.669
local terms energy: -50.105749
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.063040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.063040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.063040 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.012
local terms energy: -58.876004
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -88.481635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481635 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.000
local terms energy: -54.895006
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -80.218783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.218783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.218783 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -23.442
Base-Backbone interact. energy: -0.215
local terms energy: -39.995772
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -77.634848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.634848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.634848 (E_RNA)
where:
Base-Base interactions energy: -21.892
where: short stacking energy: -21.892
Base-Backbone interact. energy: -0.666
local terms energy: -55.077227
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -222.218471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.218471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.218471 (E_RNA)
where:
Base-Base interactions energy: -140.843
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.841
local terms energy: -80.534127
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -201.987569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987569 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.003
local terms energy: -73.743903
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -191.263769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.263769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263769 (E_RNA)
where:
Base-Base interactions energy: -118.943
where: short stacking energy: -49.461
Base-Backbone interact. energy: -0.470
local terms energy: -71.850484
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -189.039411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.039411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.039411 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -54.661
Base-Backbone interact. energy: -0.059
local terms energy: -72.042797
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -18.146
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: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -191.258449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.258449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.258449 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -54.466
Base-Backbone interact. energy: 0.052
local terms energy: -66.152214
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -12.999
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: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -95.688886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688886 (E_RNA)
where:
Base-Base interactions energy: -48.170
where: short stacking energy: -30.682
Base-Backbone interact. energy: 2.441
local terms energy: -49.960219
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -81.411547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.411547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.411547 (E_RNA)
where:
Base-Base interactions energy: -25.540
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.537
local terms energy: -55.334046
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -6.519
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -79.554114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.554114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.554114 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -21.405
Base-Backbone interact. energy: -0.783
local terms energy: -41.708521
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -2.243
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -78.563189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.563189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.563189 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.305
local terms energy: -49.856643
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -69.914787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.914787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.914787 (E_RNA)
where:
Base-Base interactions energy: -25.085
where: short stacking energy: -19.134
Base-Backbone interact. energy: -0.189
local terms energy: -44.641071
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -224.744331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.744331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.744331 (E_RNA)
where:
Base-Base interactions energy: -157.920
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.173
local terms energy: -66.652008
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -202.996025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996025 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.115
local terms energy: -76.384829
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -202.090922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.090922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090922 (E_RNA)
where:
Base-Base interactions energy: -120.798
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.012
local terms energy: -81.281012
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -22.334
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: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -182.702175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.702175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.702175 (E_RNA)
where:
Base-Base interactions energy: -111.714
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.194
local terms energy: -70.793433
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -18.478
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: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -191.609042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.609042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609042 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.033
local terms energy: -66.136009
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -17.145
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: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -90.877937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877937 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.106
local terms energy: -51.996214
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -4.611
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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -86.347252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.347252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.347252 (E_RNA)
where:
Base-Base interactions energy: -38.192
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.404
local terms energy: -47.751790
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -1.824
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -72.297933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.297933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.297933 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -16.116
Base-Backbone interact. energy: -0.188
local terms energy: -39.084013
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: 5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -86.939499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.939499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.939499 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.359
local terms energy: -42.242590
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -2.076
tors. eta vs tors. theta energy: -2.344
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: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -74.199161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.199161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.199161 (E_RNA)
where:
Base-Base interactions energy: -21.876
where: short stacking energy: -17.943
Base-Backbone interact. energy: -0.070
local terms energy: -52.252626
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -11.618
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: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -222.821574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.821574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821574 (E_RNA)
where:
Base-Base interactions energy: -153.507
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.671
local terms energy: -68.644238
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.300
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: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -202.251249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251249 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.089
local terms energy: -73.141673
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -205.529427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.529427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.529427 (E_RNA)
where:
Base-Base interactions energy: -130.963
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.851
local terms energy: -73.715965
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.169
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: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -202.356561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.356561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356561 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.074
local terms energy: -67.596571
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -179.094925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094925 (E_RNA)
where:
Base-Base interactions energy: -109.410
where: short stacking energy: -52.223
Base-Backbone interact. energy: 0.039
local terms energy: -69.723814
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -8.329
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: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -131.614059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.614059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.614059 (E_RNA)
where:
Base-Base interactions energy: -77.718
where: short stacking energy: -34.295
Base-Backbone interact. energy: 1.660
local terms energy: -55.555871
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -8.596
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: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -91.838047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.838047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.838047 (E_RNA)
where:
Base-Base interactions energy: -29.846
where: short stacking energy: -21.333
Base-Backbone interact. energy: -1.306
local terms energy: -60.685932
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -73.656154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.656154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.656154 (E_RNA)
where:
Base-Base interactions energy: -24.067
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.420
local terms energy: -49.169357
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -74.856472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.856472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.856472 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.134
local terms energy: -49.307249
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -83.351636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.351636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.351636 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -20.547
Base-Backbone interact. energy: -0.209
local terms energy: -47.673357
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -5.469
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -227.482171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.482171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.482171 (E_RNA)
where:
Base-Base interactions energy: -150.533
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.496
local terms energy: -76.453629
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -200.138066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.138066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.138066 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.006
local terms energy: -70.239622
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -210.410360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.410360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.410360 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.009
local terms energy: -74.088948
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.198
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: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -208.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322866 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -65.534
Base-Backbone interact. energy: -1.171
local terms energy: -76.700754
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -150.521568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.521568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.521568 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -46.454
Base-Backbone interact. energy: -0.125
local terms energy: -63.227878
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -142.735200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.735200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.735200 (E_RNA)
where:
Base-Base interactions energy: -89.760
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.187
local terms energy: -52.789025
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -88.299750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.299750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.299750 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.016
local terms energy: -48.820667
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -2.645
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -84.186469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.186469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.186469 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.306
local terms energy: -49.067156
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -5.303
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: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.542882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.542882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.542882 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -17.555
Base-Backbone interact. energy: -1.402
local terms energy: -51.949362
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.631111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.631111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.631111 (E_RNA)
where:
Base-Base interactions energy: -24.841
where: short stacking energy: -20.519
Base-Backbone interact. energy: -0.087
local terms energy: -47.703645
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.137
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: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -215.724154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.724154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724154 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.296
local terms energy: -69.737593
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -203.261517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.261517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.261517 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.283
local terms energy: -76.084026
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -189.795758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.795758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.795758 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -54.924
Base-Backbone interact. energy: 0.308
local terms energy: -76.532526
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -207.665916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.665916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.665916 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -68.844
Base-Backbone interact. energy: -1.197
local terms energy: -74.054639
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -12.369
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: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -144.287622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.287622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.287622 (E_RNA)
where:
Base-Base interactions energy: -83.648
where: short stacking energy: -53.717
Base-Backbone interact. energy: -0.154
local terms energy: -60.484996
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -181.657096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.657096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657096 (E_RNA)
where:
Base-Base interactions energy: -114.310
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.202
local terms energy: -67.145026
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -92.174819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.174819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.174819 (E_RNA)
where:
Base-Base interactions energy: -47.529
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.237
local terms energy: -44.408531
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -91.138187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138187 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.102
local terms energy: -47.857608
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -4.974
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: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -95.723135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.723135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.723135 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.954
local terms energy: -48.888833
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -78.777267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.777267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.777267 (E_RNA)
where:
Base-Base interactions energy: -20.201
where: short stacking energy: -20.201
Base-Backbone interact. energy: -0.422
local terms energy: -58.155060
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -6.095
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: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -225.014450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.014450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.014450 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -50.762
Base-Backbone interact. energy: -0.208
local terms energy: -68.058553
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -203.304315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304315 (E_RNA)
where:
Base-Base interactions energy: -126.665
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.016
local terms energy: -76.622929
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -199.016382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.016382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.016382 (E_RNA)
where:
Base-Base interactions energy: -124.429
where: short stacking energy: -58.546
Base-Backbone interact. energy: 0.260
local terms energy: -74.846909
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -192.939714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.939714 (E_RNA)
where:
Base-Base interactions energy: -124.494
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.023
local terms energy: -68.422578
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -13.952
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -183.243248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243248 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.012
local terms energy: -66.626205
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -146.066323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.066323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.066323 (E_RNA)
where:
Base-Base interactions energy: -74.896
where: short stacking energy: -38.426
Base-Backbone interact. energy: 0.805
local terms energy: -71.975581
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -11.566
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: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -90.401318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.401318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.401318 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.021
local terms energy: -57.934696
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -78.119275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.119275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.119275 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.109
local terms energy: -52.601556
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.418006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.418006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.418006 (E_RNA)
where:
Base-Base interactions energy: -22.593
where: short stacking energy: -18.011
Base-Backbone interact. energy: -0.321
local terms energy: -55.503791
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -84.692649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692649 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.159
local terms energy: -49.464888
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -1.277
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -222.966359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.966359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.966359 (E_RNA)
where:
Base-Base interactions energy: -153.832
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.509
local terms energy: -68.625308
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -211.839329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.839329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.839329 (E_RNA)
where:
Base-Base interactions energy: -129.960
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.038
local terms energy: -81.841686
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -199.428013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.428013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.428013 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.167
local terms energy: -73.394038
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -188.808934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.808934 (E_RNA)
where:
Base-Base interactions energy: -126.220
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.007
local terms energy: -62.582500
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -18.087
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: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -185.163224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.163224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163224 (E_RNA)
where:
Base-Base interactions energy: -117.836
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.021
local terms energy: -67.305982
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.836
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: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -150.760067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.760067 (E_RNA)
where:
Base-Base interactions energy: -83.392
where: short stacking energy: -46.844
Base-Backbone interact. energy: -0.016
local terms energy: -67.352180
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -11.289
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: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -85.564447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564447 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -22.529
Base-Backbone interact. energy: -0.523
local terms energy: -45.147094
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: 2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -84.908706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.908706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.908706 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.173
local terms energy: -43.660718
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -6.781
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -77.541433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.541433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.541433 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.107
local terms energy: -43.262271
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -7.167
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: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -73.804280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.804280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.804280 (E_RNA)
where:
Base-Base interactions energy: -22.256
where: short stacking energy: -19.497
Base-Backbone interact. energy: -0.225
local terms energy: -51.323209
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -212.849487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.849487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849487 (E_RNA)
where:
Base-Base interactions energy: -133.308
where: short stacking energy: -66.796
Base-Backbone interact. energy: -0.437
local terms energy: -79.103739
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.836
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: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -221.635088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635088 (E_RNA)
where:
Base-Base interactions energy: -152.708
where: short stacking energy: -55.825
Base-Backbone interact. energy: -0.316
local terms energy: -68.610833
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -12.862
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: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -196.132090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.132090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.132090 (E_RNA)
where:
Base-Base interactions energy: -120.749
where: short stacking energy: -53.813
Base-Backbone interact. energy: -0.851
local terms energy: -74.532066
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -193.161851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.161851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.161851 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.434
local terms energy: -72.804960
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -20.171
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: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -201.832247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832247 (E_RNA)
where:
Base-Base interactions energy: -125.515
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.780
local terms energy: -75.537446
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.219
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: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -139.068452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.068452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.068452 (E_RNA)
where:
Base-Base interactions energy: -75.274
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.064
local terms energy: -63.730336
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -93.625231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.625231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.625231 (E_RNA)
where:
Base-Base interactions energy: -42.927
where: short stacking energy: -22.609
Base-Backbone interact. energy: -0.207
local terms energy: -50.490880
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -8.095
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: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -97.683308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.683308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.683308 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.015
local terms energy: -65.872109
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -75.102031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.102031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.102031 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -19.674
Base-Backbone interact. energy: 1.192
local terms energy: -47.734811
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -7.228
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: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -72.398992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.398992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.398992 (E_RNA)
where:
Base-Base interactions energy: -21.454
where: short stacking energy: -21.729
Base-Backbone interact. energy: 0.725
local terms energy: -51.669405
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -2.586
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: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -218.950682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.950682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950682 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -67.279
Base-Backbone interact. energy: -0.827
local terms energy: -81.844607
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -200.218738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218738 (E_RNA)
where:
Base-Base interactions energy: -128.630
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.029
local terms energy: -71.559692
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -210.353681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.353681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353681 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.357
local terms energy: -66.211197
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -199.534029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.534029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.534029 (E_RNA)
where:
Base-Base interactions energy: -122.916
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.021
local terms energy: -76.597577
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -22.295
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -197.103239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.103239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.103239 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.580
local terms energy: -66.277683
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -145.445650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.445650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.445650 (E_RNA)
where:
Base-Base interactions energy: -85.734
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.114
local terms energy: -59.597600
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -7.859
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: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -91.903117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.903117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.903117 (E_RNA)
where:
Base-Base interactions energy: -40.202
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.065
local terms energy: -51.635397
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -3.592
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -85.802781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.802781 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -22.425
Base-Backbone interact. energy: 0.404
local terms energy: -49.984058
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.211
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: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -72.505546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.505546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.505546 (E_RNA)
where:
Base-Base interactions energy: -25.686
where: short stacking energy: -21.596
Base-Backbone interact. energy: -0.284
local terms energy: -46.535496
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: 0.227
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: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -69.524314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.524314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.524314 (E_RNA)
where:
Base-Base interactions energy: -20.598
where: short stacking energy: -12.328
Base-Backbone interact. energy: -0.159
local terms energy: -48.767456
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: 5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -211.687263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.687263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.687263 (E_RNA)
where:
Base-Base interactions energy: -130.213
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.008
local terms energy: -81.466904
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -210.210056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.210056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.210056 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.047
local terms energy: -79.879319
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -199.274003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.274003 (E_RNA)
where:
Base-Base interactions energy: -126.823
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.053
local terms energy: -72.397669
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -200.671459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.671459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.671459 (E_RNA)
where:
Base-Base interactions energy: -139.285
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.162
local terms energy: -61.224710
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -12.969
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -181.116450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.116450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116450 (E_RNA)
where:
Base-Base interactions energy: -117.639
where: short stacking energy: -45.940
Base-Backbone interact. energy: -0.160
local terms energy: -63.317917
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -12.297
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: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -137.168368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.168368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.168368 (E_RNA)
where:
Base-Base interactions energy: -75.310
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.120
local terms energy: -61.738097
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -88.282928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282928 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.007
local terms energy: -57.968581
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -84.172943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.172943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.172943 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -30.621
Base-Backbone interact. energy: 1.255
local terms energy: -54.806398
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -10.503
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: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -75.124108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.124108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.124108 (E_RNA)
where:
Base-Base interactions energy: -29.873
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.305
local terms energy: -44.946059
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -1.535
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -73.878773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.878773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.878773 (E_RNA)
where:
Base-Base interactions energy: -21.160
where: short stacking energy: -21.160
Base-Backbone interact. energy: -0.154
local terms energy: -52.564997
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: 0.988
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -203.514598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.514598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.514598 (E_RNA)
where:
Base-Base interactions energy: -128.470
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.876
local terms energy: -74.168060
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.217
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: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -211.252496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.252496 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.014
local terms energy: -79.654956
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -20.105
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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -193.566672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.566672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.566672 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.912
local terms energy: -70.041728
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -196.611215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.611215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.611215 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -67.650
Base-Backbone interact. energy: 0.679
local terms energy: -64.286372
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -207.288106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.288106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.288106 (E_RNA)
where:
Base-Base interactions energy: -140.134
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.240
local terms energy: -66.914538
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -97.948907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.948907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.948907 (E_RNA)
where:
Base-Base interactions energy: -50.452
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.017
local terms energy: -47.480144
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -84.299716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299716 (E_RNA)
where:
Base-Base interactions energy: -25.083
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.103
local terms energy: -59.114053
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -108.127515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.127515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.127515 (E_RNA)
where:
Base-Base interactions energy: -54.502
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.208
local terms energy: -53.417687
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -3.829
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -75.333858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.333858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.333858 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.046
local terms energy: -50.599945
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -82.914524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914524 (E_RNA)
where:
Base-Base interactions energy: -29.274
where: short stacking energy: -25.358
Base-Backbone interact. energy: -0.297
local terms energy: -53.343110
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -210.016904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.016904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016904 (E_RNA)
where:
Base-Base interactions energy: -137.452
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.060
local terms energy: -72.505247
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.293
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -213.876375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876375 (E_RNA)
where:
Base-Base interactions energy: -138.742
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.544
local terms energy: -74.589927
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -194.076099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076099 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.030
local terms energy: -73.169291
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -6.946
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: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -200.101624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.101624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.101624 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.002
local terms energy: -72.892705
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -209.268618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.268618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.268618 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.277
local terms energy: -70.487203
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -92.083346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083346 (E_RNA)
where:
Base-Base interactions energy: -33.474
where: short stacking energy: -33.474
Base-Backbone interact. energy: -0.019
local terms energy: -58.590510
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -88.777168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.777168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.777168 (E_RNA)
where:
Base-Base interactions energy: -30.038
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.106
local terms energy: -58.633338
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -77.979865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.979865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.979865 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -20.979
Base-Backbone interact. energy: -0.579
local terms energy: -40.105850
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -1.821
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: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.563375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.563375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.563375 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -16.905
Base-Backbone interact. energy: -0.260
local terms energy: -57.088351
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.099
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -77.249882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.249882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.249882 (E_RNA)
where:
Base-Base interactions energy: -29.274
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.162
local terms energy: -47.813892
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.939
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -202.129684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.129684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.129684 (E_RNA)
where:
Base-Base interactions energy: -125.368
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.003
local terms energy: -76.758876
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -195.806863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.806863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.806863 (E_RNA)
where:
Base-Base interactions energy: -123.003
where: short stacking energy: -65.129
Base-Backbone interact. energy: -1.189
local terms energy: -71.614484
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -202.572784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.572784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.572784 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.101
local terms energy: -79.477741
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.886
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -207.049767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.049767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.049767 (E_RNA)
where:
Base-Base interactions energy: -133.328
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.266
local terms energy: -73.456287
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -17.335
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: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -187.055250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.055250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.055250 (E_RNA)
where:
Base-Base interactions energy: -120.248
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.203
local terms energy: -66.604630
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -99.633083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633083 (E_RNA)
where:
Base-Base interactions energy: -54.536
where: short stacking energy: -21.365
Base-Backbone interact. energy: 3.120
local terms energy: -48.217225
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -8.576
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: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -88.774053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.774053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.774053 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -25.543
Base-Backbone interact. energy: -0.150
local terms energy: -62.795706
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -5.835
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -80.308189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308189 (E_RNA)
where:
Base-Base interactions energy: -28.333
where: short stacking energy: -17.841
Base-Backbone interact. energy: -0.777
local terms energy: -51.197970
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: 3.177
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: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -73.808193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.808193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.808193 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -26.755
Base-Backbone interact. energy: -0.089
local terms energy: -43.859273
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -2.837
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -68.632539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.632539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.632539 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -11.270
Base-Backbone interact. energy: -0.607
local terms energy: -43.551887
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -2.078
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -214.028664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028664 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -69.361
Base-Backbone interact. energy: 1.346
local terms energy: -78.358121
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -196.856146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856146 (E_RNA)
where:
Base-Base interactions energy: -125.716
where: short stacking energy: -57.551
Base-Backbone interact. energy: -1.059
local terms energy: -70.081556
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -5.524
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -187.183195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.183195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.183195 (E_RNA)
where:
Base-Base interactions energy: -125.454
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.473
local terms energy: -61.256158
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -199.158025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.158025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.158025 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.081
local terms energy: -75.791396
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -184.343344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.343344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.343344 (E_RNA)
where:
Base-Base interactions energy: -115.599
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.066
local terms energy: -68.677730
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -99.392141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.392141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.392141 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.115
local terms energy: -61.490565
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -12.271
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: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -90.730588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.730588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.730588 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -26.607
Base-Backbone interact. energy: -0.114
local terms energy: -63.291165
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -84.055311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055311 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -23.431
Base-Backbone interact. energy: 0.505
local terms energy: -48.489157
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -85.859327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.859327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.859327 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -25.612
Base-Backbone interact. energy: -0.005
local terms energy: -51.807860
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -7.351
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -76.636454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.636454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.636454 (E_RNA)
where:
Base-Base interactions energy: -26.388
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.121
local terms energy: -50.127802
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -2.096
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: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -214.720101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.720101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.720101 (E_RNA)
where:
Base-Base interactions energy: -129.035
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.403
local terms energy: -85.282420
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -20.036
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: 285
Temperature: 0.950000
Total energy: -211.310705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.310705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.310705 (E_RNA)
where:
Base-Base interactions energy: -145.150
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.135
local terms energy: -66.025960
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -191.103076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.103076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.103076 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -56.186
Base-Backbone interact. energy: -0.122
local terms energy: -71.147336
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -15.429
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -196.873605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.873605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.873605 (E_RNA)
where:
Base-Base interactions energy: -128.903
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.924
local terms energy: -67.047015
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -198.086296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.086296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.086296 (E_RNA)
where:
Base-Base interactions energy: -130.448
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.032
local terms energy: -67.605649
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.440
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -122.789695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.789695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.789695 (E_RNA)
where:
Base-Base interactions energy: -56.186
where: short stacking energy: -27.667
Base-Backbone interact. energy: 0.471
local terms energy: -67.074944
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -80.386205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.386205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.386205 (E_RNA)
where:
Base-Base interactions energy: -31.656
where: short stacking energy: -19.035
Base-Backbone interact. energy: -0.081
local terms energy: -48.648934
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -86.645270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.645270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.645270 (E_RNA)
where:
Base-Base interactions energy: -42.163
where: short stacking energy: -24.056
Base-Backbone interact. energy: -0.019
local terms energy: -44.463052
where:
bonds (distance) C4'-P energy: -2.814
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -8.492
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: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -96.180447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.180447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.180447 (E_RNA)
where:
Base-Base interactions energy: -53.802
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.147
local terms energy: -42.232099
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -1.649
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: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -81.403583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403583 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.182
local terms energy: -51.945000
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -7.946
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: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -229.774875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.774875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.774875 (E_RNA)
where:
Base-Base interactions energy: -152.089
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.521
local terms energy: -77.165030
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -14.046
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: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -207.764749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.764749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.764749 (E_RNA)
where:
Base-Base interactions energy: -130.998
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.001
local terms energy: -76.765842
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -197.139261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.139261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.139261 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.125
local terms energy: -74.807327
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -203.186966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.186966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.186966 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.063
local terms energy: -71.587878
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -195.198386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.198386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.198386 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.181
local terms energy: -68.555328
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.536
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: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -109.685778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.685778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.685778 (E_RNA)
where:
Base-Base interactions energy: -57.583
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.098
local terms energy: -52.004950
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -5.894
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -120.178967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.178967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.178967 (E_RNA)
where:
Base-Base interactions energy: -65.263
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.052
local terms energy: -54.864890
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -96.265587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.265587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.265587 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.106
local terms energy: -55.602563
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -83.443287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443287 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -16.646
Base-Backbone interact. energy: -0.126
local terms energy: -49.386771
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: 2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -67.904379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.904379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.904379 (E_RNA)
where:
Base-Base interactions energy: -17.020
where: short stacking energy: -16.890
Base-Backbone interact. energy: 0.588
local terms energy: -51.472390
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.948
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: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -228.805324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.805324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.805324 (E_RNA)
where:
Base-Base interactions energy: -157.085
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.542
local terms energy: -71.177711
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -16.076
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: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -201.905105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905105 (E_RNA)
where:
Base-Base interactions energy: -123.167
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.016
local terms energy: -78.722427
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -195.957324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957324 (E_RNA)
where:
Base-Base interactions energy: -121.653
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.106
local terms energy: -74.199240
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -187.955772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.955772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.955772 (E_RNA)
where:
Base-Base interactions energy: -119.925
where: short stacking energy: -46.777
Base-Backbone interact. energy: -0.034
local terms energy: -67.996498
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -201.847003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.847003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.847003 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -61.867
Base-Backbone interact. energy: -0.092
local terms energy: -74.815504
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -141.489190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.489190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.489190 (E_RNA)
where:
Base-Base interactions energy: -85.463
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.713
local terms energy: -55.312870
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -4.968
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -112.080499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.080499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.080499 (E_RNA)
where:
Base-Base interactions energy: -59.936
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.014
local terms energy: -52.130243
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -92.841697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.841697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.841697 (E_RNA)
where:
Base-Base interactions energy: -41.254
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.305
local terms energy: -51.282715
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -77.338057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.338057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.338057 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -24.027
Base-Backbone interact. energy: -1.317
local terms energy: -51.993994
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -7.557
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: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -79.118710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.118710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.118710 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -27.489
Base-Backbone interact. energy: -0.296
local terms energy: -49.824423
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -6.569
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: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -221.294629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.294629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.294629 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.548
local terms energy: -73.914658
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -205.548808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.548808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.548808 (E_RNA)
where:
Base-Base interactions energy: -125.306
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.166
local terms energy: -80.076734
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.211
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -194.981916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.981916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.981916 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -55.690
Base-Backbone interact. energy: 0.052
local terms energy: -74.719199
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -9.339
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -184.783539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.783539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.783539 (E_RNA)
where:
Base-Base interactions energy: -106.149
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.716
local terms energy: -77.918471
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -18.945
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: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -192.679606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.679606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.679606 (E_RNA)
where:
Base-Base interactions energy: -119.765
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.127
local terms energy: -72.787837
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -19.937
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: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -119.772003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.772003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.772003 (E_RNA)
where:
Base-Base interactions energy: -63.984
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.261
local terms energy: -55.526568
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -8.137
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -93.875736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875736 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -23.259
Base-Backbone interact. energy: 0.190
local terms energy: -54.756196
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.269
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -90.965429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965429 (E_RNA)
where:
Base-Base interactions energy: -38.570
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.072
local terms energy: -52.323815
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -76.651795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.651795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.651795 (E_RNA)
where:
Base-Base interactions energy: -26.335
where: short stacking energy: -12.971
Base-Backbone interact. energy: -2.779
local terms energy: -47.538594
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -74.080486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.080486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.080486 (E_RNA)
where:
Base-Base interactions energy: -21.524
where: short stacking energy: -16.050
Base-Backbone interact. energy: 0.785
local terms energy: -53.341668
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -1.750
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -220.102177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.102177 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -58.873
Base-Backbone interact. energy: -1.164
local terms energy: -67.942982
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -13.333
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: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -207.109699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.109699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.109699 (E_RNA)
where:
Base-Base interactions energy: -131.070
where: short stacking energy: -64.166
Base-Backbone interact. energy: -0.042
local terms energy: -75.997430
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -7.394
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: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -196.734857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.734857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.734857 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.224
local terms energy: -73.345582
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -16.862
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: 289
Temperature: 1.050000
Total energy: -199.029497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.029497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.029497 (E_RNA)
where:
Base-Base interactions energy: -127.106
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.003
local terms energy: -71.920187
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -175.081363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.081363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.081363 (E_RNA)
where:
Base-Base interactions energy: -110.935
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.040
local terms energy: -64.106321
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.635
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -88.831128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831128 (E_RNA)
where:
Base-Base interactions energy: -27.987
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.136
local terms energy: -60.708308
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -115.275014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.275014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.275014 (E_RNA)
where:
Base-Base interactions energy: -58.864
where: short stacking energy: -36.587
Base-Backbone interact. energy: -0.119
local terms energy: -56.291957
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -86.929313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.929313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.929313 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.010
local terms energy: -53.435819
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -86.311061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311061 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -17.502
Base-Backbone interact. energy: -0.173
local terms energy: -39.345724
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -76.881028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.881028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.881028 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.156
local terms energy: -42.168299
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -3.879
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: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -204.915447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.915447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915447 (E_RNA)
where:
Base-Base interactions energy: -126.872
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.018
local terms energy: -78.025420
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -10.435
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -215.129452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.129452 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.293
local terms energy: -80.337770
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -17.224
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: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -205.242189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.242189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.242189 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.161
local terms energy: -68.581494
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -196.013166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.013166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.013166 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -56.820
Base-Backbone interact. energy: -0.051
local terms energy: -72.992401
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.792
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -183.189041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.189041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.189041 (E_RNA)
where:
Base-Base interactions energy: -124.904
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.317
local terms energy: -57.967578
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -12.017
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: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -89.696366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.696366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.696366 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.158
local terms energy: -50.143625
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -104.826957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826957 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.466
local terms energy: -56.209070
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -78.409557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.409557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.409557 (E_RNA)
where:
Base-Base interactions energy: -29.319
where: short stacking energy: -24.936
Base-Backbone interact. energy: -0.223
local terms energy: -48.867523
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -4.587
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: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -73.108682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.108682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.108682 (E_RNA)
where:
Base-Base interactions energy: -20.379
where: short stacking energy: -20.379
Base-Backbone interact. energy: -0.126
local terms energy: -52.603736
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -74.906672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.906672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.906672 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -19.490
Base-Backbone interact. energy: -0.416
local terms energy: -46.016059
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -206.649383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.649383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.649383 (E_RNA)
where:
Base-Base interactions energy: -132.733
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.857
local terms energy: -73.059314
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -18.349
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -204.132711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.132711 (E_RNA)
where:
Base-Base interactions energy: -128.095
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.023
local terms energy: -76.014846
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -20.114
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: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -219.731399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731399 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.433
local terms energy: -73.809385
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -187.123724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.123724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.123724 (E_RNA)
where:
Base-Base interactions energy: -120.419
where: short stacking energy: -60.475
Base-Backbone interact. energy: -1.072
local terms energy: -65.633011
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -18.293
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -179.577328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.577328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.577328 (E_RNA)
where:
Base-Base interactions energy: -113.472
where: short stacking energy: -51.583
Base-Backbone interact. energy: -0.357
local terms energy: -65.748370
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -133.312686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.312686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.312686 (E_RNA)
where:
Base-Base interactions energy: -75.894
where: short stacking energy: -37.497
Base-Backbone interact. energy: -0.516
local terms energy: -56.903257
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -84.647768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647768 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -26.099
Base-Backbone interact. energy: 0.377
local terms energy: -58.180484
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -79.323462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.323462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.323462 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.119
local terms energy: -52.059913
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -80.865428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.865428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.865428 (E_RNA)
where:
Base-Base interactions energy: -25.689
where: short stacking energy: -19.622
Base-Backbone interact. energy: -2.232
local terms energy: -52.944395
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -73.237128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.237128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.237128 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.039
local terms energy: -43.037061
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.526
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -198.846596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.846596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.846596 (E_RNA)
where:
Base-Base interactions energy: -132.008
where: short stacking energy: -56.212
Base-Backbone interact. energy: 0.350
local terms energy: -67.189163
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -209.401336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.401336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.401336 (E_RNA)
where:
Base-Base interactions energy: -133.018
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.098
local terms energy: -76.285160
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -205.782836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.782836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.782836 (E_RNA)
where:
Base-Base interactions energy: -133.366
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.211
local terms energy: -72.205220
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -192.618132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.618132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.618132 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.074
local terms energy: -73.067424
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -8.225
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.306
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: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -168.881707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.881707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.881707 (E_RNA)
where:
Base-Base interactions energy: -103.067
where: short stacking energy: -41.128
Base-Backbone interact. energy: -0.058
local terms energy: -65.756067
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -102.031132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.031132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.031132 (E_RNA)
where:
Base-Base interactions energy: -49.227
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.178
local terms energy: -52.626145
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -2.874
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -85.800427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800427 (E_RNA)
where:
Base-Base interactions energy: -37.919
where: short stacking energy: -37.919
Base-Backbone interact. energy: -0.008
local terms energy: -47.873022
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -75.594679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.594679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.594679 (E_RNA)
where:
Base-Base interactions energy: -19.888
where: short stacking energy: -19.888
Base-Backbone interact. energy: -0.109
local terms energy: -55.597961
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -80.958728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.958728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.958728 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.589
local terms energy: -54.782814
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -73.021784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.021784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.021784 (E_RNA)
where:
Base-Base interactions energy: -21.852
where: short stacking energy: -21.852
Base-Backbone interact. energy: -0.074
local terms energy: -51.095718
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -7.954
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -203.778917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.778917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778917 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.000
local terms energy: -68.412775
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -218.009415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.009415 (E_RNA)
where:
Base-Base interactions energy: -145.404
where: short stacking energy: -63.162
Base-Backbone interact. energy: 0.732
local terms energy: -73.337222
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -193.045422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.045422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.045422 (E_RNA)
where:
Base-Base interactions energy: -121.783
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.132
local terms energy: -71.129870
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -187.806671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.806671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.806671 (E_RNA)
where:
Base-Base interactions energy: -108.254
where: short stacking energy: -58.827
Base-Backbone interact. energy: 0.287
local terms energy: -79.839853
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.514
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -184.987915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987915 (E_RNA)
where:
Base-Base interactions energy: -112.753
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.544
local terms energy: -71.690973
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -83.562610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.562610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.562610 (E_RNA)
where:
Base-Base interactions energy: -27.709
where: short stacking energy: -26.402
Base-Backbone interact. energy: -0.205
local terms energy: -55.648701
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -86.545480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545480 (E_RNA)
where:
Base-Base interactions energy: -33.195
where: short stacking energy: -30.761
Base-Backbone interact. energy: 0.010
local terms energy: -53.360756
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -76.339011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.339011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.339011 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.072
local terms energy: -44.441425
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -88.093684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.093684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.093684 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -32.298
Base-Backbone interact. energy: -0.160
local terms energy: -51.124163
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -82.750124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750124 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.085
local terms energy: -53.880119
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -228.967041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.967041 (E_RNA)
where:
Base-Base interactions energy: -153.886
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.164
local terms energy: -74.917592
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -202.480643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.480643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.480643 (E_RNA)
where:
Base-Base interactions energy: -134.405
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.142
local terms energy: -67.934006
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -188.046463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.046463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.046463 (E_RNA)
where:
Base-Base interactions energy: -120.664
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.053
local terms energy: -67.328833
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -11.675
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: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -192.374152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.374152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.374152 (E_RNA)
where:
Base-Base interactions energy: -123.448
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.101
local terms energy: -68.825560
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -187.916430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916430 (E_RNA)
where:
Base-Base interactions energy: -117.243
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.140
local terms energy: -70.533297
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -97.845887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.845887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.845887 (E_RNA)
where:
Base-Base interactions energy: -49.562
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.149
local terms energy: -48.135502
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -77.602705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.602705 (E_RNA)
where:
Base-Base interactions energy: -23.447
where: short stacking energy: -20.027
Base-Backbone interact. energy: -0.277
local terms energy: -53.879259
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -90.970319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970319 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.013
local terms energy: -56.201225
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -86.315557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315557 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.052
local terms energy: -50.199538
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -10.187
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -67.694581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.694581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.694581 (E_RNA)
where:
Base-Base interactions energy: -15.912
where: short stacking energy: -17.112
Base-Backbone interact. energy: -0.328
local terms energy: -51.454171
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -227.047304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.047304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.047304 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.216
local terms energy: -72.343820
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -208.344336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.344336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.344336 (E_RNA)
where:
Base-Base interactions energy: -131.623
where: short stacking energy: -65.693
Base-Backbone interact. energy: -0.000
local terms energy: -76.720954
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -195.533420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533420 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.057
local terms energy: -64.264710
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -190.031243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.031243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.031243 (E_RNA)
where:
Base-Base interactions energy: -119.990
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.002
local terms energy: -70.038859
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -175.972012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.972012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.972012 (E_RNA)
where:
Base-Base interactions energy: -108.697
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.344
local terms energy: -66.930679
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -13.489
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: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -83.206189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.206189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.206189 (E_RNA)
where:
Base-Base interactions energy: -35.653
where: short stacking energy: -32.548
Base-Backbone interact. energy: 0.598
local terms energy: -48.151686
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.421
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: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -91.025918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.025918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.025918 (E_RNA)
where:
Base-Base interactions energy: -33.083
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.011
local terms energy: -57.932536
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -7.027
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: 295
Temperature: 1.250000
Total energy: -79.015423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.015423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.015423 (E_RNA)
where:
Base-Base interactions energy: -34.108
where: short stacking energy: -25.920
Base-Backbone interact. energy: -0.142
local terms energy: -44.765154
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -88.713919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713919 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.113
local terms energy: -43.967747
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -71.153725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.153725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.153725 (E_RNA)
where:
Base-Base interactions energy: -21.906
where: short stacking energy: -19.437
Base-Backbone interact. energy: -0.128
local terms energy: -49.120012
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: 0.180
tors. eta vs tors. theta energy: -2.194
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -218.116226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.116226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.116226 (E_RNA)
where:
Base-Base interactions energy: -139.060
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.003
local terms energy: -79.052709
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -221.564015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.564015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.564015 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.081
local terms energy: -72.312618
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -195.075052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.075052 (E_RNA)
where:
Base-Base interactions energy: -126.798
where: short stacking energy: -61.775
Base-Backbone interact. energy: 3.816
local terms energy: -72.094019
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -189.218483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218483 (E_RNA)
where:
Base-Base interactions energy: -113.634
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.499
local terms energy: -75.085976
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -184.887754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.887754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.887754 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -44.323
Base-Backbone interact. energy: -0.046
local terms energy: -69.223656
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -12.245
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: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -88.285008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285008 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.211
local terms energy: -48.398962
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -1.020
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -85.561325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.561325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.561325 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -24.793
Base-Backbone interact. energy: -0.026
local terms energy: -48.971619
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.588768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.588768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.588768 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -32.592
Base-Backbone interact. energy: 1.563
local terms energy: -58.375003
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -2.203
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: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -79.600143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600143 (E_RNA)
where:
Base-Base interactions energy: -23.573
where: short stacking energy: -20.235
Base-Backbone interact. energy: -0.277
local terms energy: -55.750721
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.931203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.931203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.931203 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -22.877
Base-Backbone interact. energy: -0.032
local terms energy: -52.022104
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -6.227
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: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -210.510833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.510833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.510833 (E_RNA)
where:
Base-Base interactions energy: -133.120
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.399
local terms energy: -76.992707
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -222.486386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.486386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.486386 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.090
local terms energy: -77.148199
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -16.928
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: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -189.520404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.520404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.520404 (E_RNA)
where:
Base-Base interactions energy: -122.888
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.114
local terms energy: -66.518792
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -198.788575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.788575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.788575 (E_RNA)
where:
Base-Base interactions energy: -122.438
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.439
local terms energy: -75.911772
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -176.966987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.966987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.966987 (E_RNA)
where:
Base-Base interactions energy: -115.867
where: short stacking energy: -42.766
Base-Backbone interact. energy: -0.341
local terms energy: -60.759308
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -123.332465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.332465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.332465 (E_RNA)
where:
Base-Base interactions energy: -63.913
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.116
local terms energy: -59.303606
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -98.402655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.402655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.402655 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -25.477
Base-Backbone interact. energy: -0.654
local terms energy: -57.694221
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -86.331192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.331192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.331192 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -29.705
Base-Backbone interact. energy: -0.000
local terms energy: -54.810150
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -3.989
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: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -76.273786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.273786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.273786 (E_RNA)
where:
Base-Base interactions energy: -28.019
where: short stacking energy: -21.773
Base-Backbone interact. energy: -0.286
local terms energy: -47.968524
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -2.541
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: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -73.414810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.414810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.414810 (E_RNA)
where:
Base-Base interactions energy: -19.466
where: short stacking energy: -18.413
Base-Backbone interact. energy: -0.133
local terms energy: -53.815582
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -4.162
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: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -226.867658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.867658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.867658 (E_RNA)
where:
Base-Base interactions energy: -154.362
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.214
local terms energy: -72.291819
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -207.813630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.813630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.813630 (E_RNA)
where:
Base-Base interactions energy: -131.992
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.122
local terms energy: -75.699695
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -205.250590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.250590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250590 (E_RNA)
where:
Base-Base interactions energy: -135.489
where: short stacking energy: -61.625
Base-Backbone interact. energy: -0.113
local terms energy: -69.648878
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -176.225999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.225999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.225999 (E_RNA)
where:
Base-Base interactions energy: -109.666
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.041
local terms energy: -66.518705
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -14.576
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: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -197.692541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.692541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.692541 (E_RNA)
where:
Base-Base interactions energy: -123.980
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.429
local terms energy: -73.282799
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.918
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: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -98.185017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.185017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.185017 (E_RNA)
where:
Base-Base interactions energy: -46.935
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.022
local terms energy: -51.228029
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -4.537
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -85.660790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.660790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.660790 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -21.640
Base-Backbone interact. energy: -0.123
local terms energy: -51.708495
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -71.896158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.896158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.896158 (E_RNA)
where:
Base-Base interactions energy: -23.580
where: short stacking energy: -16.887
Base-Backbone interact. energy: -0.352
local terms energy: -47.963535
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.689
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: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -76.463159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.463159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.463159 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -25.982
Base-Backbone interact. energy: 0.523
local terms energy: -51.004443
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.209237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.209237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.209237 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -23.326
Base-Backbone interact. energy: -0.194
local terms energy: -56.005423
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -224.605611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.605611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.605611 (E_RNA)
where:
Base-Base interactions energy: -156.291
where: short stacking energy: -52.586
Base-Backbone interact. energy: 0.506
local terms energy: -68.820129
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -10.089
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: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -210.680149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.680149 (E_RNA)
where:
Base-Base interactions energy: -133.752
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.098
local terms energy: -76.830044
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -22.063
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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -196.987510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.987510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.987510 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.008
local terms energy: -71.026783
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -201.386142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.386142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.386142 (E_RNA)
where:
Base-Base interactions energy: -132.903
where: short stacking energy: -64.266
Base-Backbone interact. energy: 0.350
local terms energy: -68.833047
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -184.788418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788418 (E_RNA)
where:
Base-Base interactions energy: -123.278
where: short stacking energy: -58.492
Base-Backbone interact. energy: -0.150
local terms energy: -61.360611
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -94.194669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.194669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.194669 (E_RNA)
where:
Base-Base interactions energy: -39.695
where: short stacking energy: -29.444
Base-Backbone interact. energy: 0.127
local terms energy: -54.627028
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -6.894
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -87.060573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.060573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.060573 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -30.355
Base-Backbone interact. energy: -0.130
local terms energy: -55.462433
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -6.161
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: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -103.653472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.653472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.653472 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -29.363
Base-Backbone interact. energy: 0.810
local terms energy: -54.126766
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -7.588
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: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -70.452729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.452729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.452729 (E_RNA)
where:
Base-Base interactions energy: -18.096
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.115
local terms energy: -52.242379
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -11.226
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: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -85.321149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.321149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.321149 (E_RNA)
where:
Base-Base interactions energy: -37.032
where: short stacking energy: -21.142
Base-Backbone interact. energy: -0.190
local terms energy: -48.099156
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -1.788
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -228.557853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.557853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.557853 (E_RNA)
where:
Base-Base interactions energy: -158.610
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.377
local terms energy: -69.571684
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.286
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -209.910857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.910857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.910857 (E_RNA)
where:
Base-Base interactions energy: -137.693
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.008
local terms energy: -72.210301
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -4.141
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: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -193.904200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.904200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.904200 (E_RNA)
where:
Base-Base interactions energy: -120.804
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.094
local terms energy: -73.006242
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -20.007
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: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -189.573464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.573464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.573464 (E_RNA)
where:
Base-Base interactions energy: -123.314
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.001
local terms energy: -66.259174
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.015
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: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -194.014969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.014969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.014969 (E_RNA)
where:
Base-Base interactions energy: -125.105
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.152
local terms energy: -68.758639
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.143
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: 300
Temperature: 1.150000
Total energy: -107.362832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.362832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.362832 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.578
local terms energy: -63.211525
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -86.707697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707697 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -25.657
Base-Backbone interact. energy: -0.191
local terms energy: -46.366190
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -78.591110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.591110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.591110 (E_RNA)
where:
Base-Base interactions energy: -20.732
where: short stacking energy: -20.732
Base-Backbone interact. energy: -0.098
local terms energy: -57.761536
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.031373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031373 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -24.250
Base-Backbone interact. energy: -1.409
local terms energy: -44.857100
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -0.716
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -74.643139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.643139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.643139 (E_RNA)
where:
Base-Base interactions energy: -21.314
where: short stacking energy: -19.670
Base-Backbone interact. energy: -0.069
local terms energy: -53.260279
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -225.279970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.279970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.279970 (E_RNA)
where:
Base-Base interactions energy: -145.175
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.882
local terms energy: -79.223126
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -12.936
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: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -207.142868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.142868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.142868 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.186
local terms energy: -81.688796
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -20.019
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -195.833369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833369 (E_RNA)
where:
Base-Base interactions energy: -125.636
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.012
local terms energy: -70.185537
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -189.543702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.543702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.543702 (E_RNA)
where:
Base-Base interactions energy: -117.575
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.016
local terms energy: -71.952481
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -19.015
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: 301
Temperature: 1.100000
Total energy: -181.358382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.358382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.358382 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.212
local terms energy: -69.337930
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.607
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: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -89.921392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.921392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.921392 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.070
local terms energy: -52.336262
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -82.242911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242911 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.436
local terms energy: -50.353944
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -9.572
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: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -80.643832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643832 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -21.635
Base-Backbone interact. energy: -0.443
local terms energy: -50.917218
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -83.196816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.196816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.196816 (E_RNA)
where:
Base-Base interactions energy: -31.520
where: short stacking energy: -22.521
Base-Backbone interact. energy: 0.455
local terms energy: -52.130897
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -67.521124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.521124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.521124 (E_RNA)
where:
Base-Base interactions energy: -17.798
where: short stacking energy: -17.989
Base-Backbone interact. energy: -0.152
local terms energy: -49.570659
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -11.481
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: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -225.169462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.169462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.169462 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.431
local terms energy: -75.306239
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -207.934389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.934389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.934389 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.001
local terms energy: -76.098197
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -202.444324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.444324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.444324 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.003
local terms energy: -73.327438
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -188.693122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.693122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.693122 (E_RNA)
where:
Base-Base interactions energy: -118.015
where: short stacking energy: -60.027
Base-Backbone interact. energy: 0.714
local terms energy: -71.392350
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -11.401
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: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -168.850507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.850507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.850507 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.225
local terms energy: -59.716601
where:
bonds (distance) C4'-P energy: -5.541
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.679
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -95.732970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732970 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -25.910
Base-Backbone interact. energy: -0.901
local terms energy: -55.835459
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -5.639
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: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -83.009781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.009781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.009781 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -26.847
Base-Backbone interact. energy: -0.160
local terms energy: -56.002311
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -94.994405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994405 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -27.741
Base-Backbone interact. energy: 2.071
local terms energy: -59.427816
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -12.417
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: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -83.241276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241276 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -29.571
Base-Backbone interact. energy: -0.077
local terms energy: -53.155146
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -78.057187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.057187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.057187 (E_RNA)
where:
Base-Base interactions energy: -26.092
where: short stacking energy: -26.325
Base-Backbone interact. energy: -0.314
local terms energy: -51.651318
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -5.264
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: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -221.516572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.516572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.516572 (E_RNA)
where:
Base-Base interactions energy: -158.017
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.424
local terms energy: -63.074937
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -15.713
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: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -201.849228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.849228 (E_RNA)
where:
Base-Base interactions energy: -124.571
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.284
local terms energy: -76.993380
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -204.707613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.707613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.707613 (E_RNA)
where:
Base-Base interactions energy: -131.099
where: short stacking energy: -63.255
Base-Backbone interact. energy: -0.009
local terms energy: -73.598864
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -180.301210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.301210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.301210 (E_RNA)
where:
Base-Base interactions energy: -113.144
where: short stacking energy: -48.011
Base-Backbone interact. energy: 0.508
local terms energy: -67.664673
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -161.913798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.913798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.913798 (E_RNA)
where:
Base-Base interactions energy: -108.035
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.345
local terms energy: -53.533536
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -98.784447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.784447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.784447 (E_RNA)
where:
Base-Base interactions energy: -50.910
where: short stacking energy: -26.678
Base-Backbone interact. energy: -0.303
local terms energy: -47.571898
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -86.295138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295138 (E_RNA)
where:
Base-Base interactions energy: -26.536
where: short stacking energy: -25.516
Base-Backbone interact. energy: -0.231
local terms energy: -59.528045
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -4.944
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: 303
Temperature: 1.250000
Total energy: -91.459003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459003 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.053
local terms energy: -60.341060
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -75.871579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.871579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.871579 (E_RNA)
where:
Base-Base interactions energy: -24.210
where: short stacking energy: -20.124
Base-Backbone interact. energy: -1.193
local terms energy: -50.468553
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -73.444830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.444830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.444830 (E_RNA)
where:
Base-Base interactions energy: -20.749
where: short stacking energy: -14.398
Base-Backbone interact. energy: -0.432
local terms energy: -52.263622
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -217.732840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.732840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.732840 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.095
local terms energy: -68.675563
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -202.273452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.273452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.273452 (E_RNA)
where:
Base-Base interactions energy: -123.786
where: short stacking energy: -57.783
Base-Backbone interact. energy: 0.121
local terms energy: -78.608894
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -13.176
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: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -198.801478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.801478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.801478 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.025
local terms energy: -72.322332
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -187.867028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.867028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.867028 (E_RNA)
where:
Base-Base interactions energy: -118.179
where: short stacking energy: -54.918
Base-Backbone interact. energy: -0.014
local terms energy: -69.674521
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.427
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: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -163.532125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.532125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.532125 (E_RNA)
where:
Base-Base interactions energy: -100.206
where: short stacking energy: -51.209
Base-Backbone interact. energy: -0.173
local terms energy: -63.153498
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -91.435957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.435957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.435957 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -29.121
Base-Backbone interact. energy: 0.743
local terms energy: -53.410603
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -89.424221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424221 (E_RNA)
where:
Base-Base interactions energy: -38.140
where: short stacking energy: -30.549
Base-Backbone interact. energy: 1.355
local terms energy: -52.638524
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -3.760
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -87.592442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.592442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.592442 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -26.235
Base-Backbone interact. energy: 0.497
local terms energy: -46.587813
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -69.489636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.489636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.489636 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -24.440
Base-Backbone interact. energy: 0.918
local terms energy: -41.068324
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -7.601
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.393608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.393608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.393608 (E_RNA)
where:
Base-Base interactions energy: -25.001
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.224
local terms energy: -50.169105
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -217.494370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.494370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.494370 (E_RNA)
where:
Base-Base interactions energy: -145.254
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.595
local terms energy: -71.645856
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -8.010
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -195.947217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.947217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.947217 (E_RNA)
where:
Base-Base interactions energy: -122.629
where: short stacking energy: -57.478
Base-Backbone interact. energy: 0.316
local terms energy: -73.634625
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -15.943
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: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -202.493369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.493369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.493369 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.012
local terms energy: -72.472196
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -16.662
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: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -186.560118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.560118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.560118 (E_RNA)
where:
Base-Base interactions energy: -118.440
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.068
local terms energy: -68.052543
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -17.758
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: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -187.520364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.520364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.520364 (E_RNA)
where:
Base-Base interactions energy: -111.026
where: short stacking energy: -47.481
Base-Backbone interact. energy: -0.033
local terms energy: -76.461125
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -16.023
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: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -111.563154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.563154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.563154 (E_RNA)
where:
Base-Base interactions energy: -66.527
where: short stacking energy: -32.075
Base-Backbone interact. energy: 2.607
local terms energy: -47.643204
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -86.260672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.260672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.260672 (E_RNA)
where:
Base-Base interactions energy: -34.492
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.263
local terms energy: -51.504997
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -77.116200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.116200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.116200 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -27.329
Base-Backbone interact. energy: -0.165
local terms energy: -42.257543
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -6.429
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -80.698717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698717 (E_RNA)
where:
Base-Base interactions energy: -24.338
where: short stacking energy: -11.607
Base-Backbone interact. energy: -0.200
local terms energy: -56.161122
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -3.131
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: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -67.938206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.938206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.938206 (E_RNA)
where:
Base-Base interactions energy: -17.471
where: short stacking energy: -17.471
Base-Backbone interact. energy: -0.360
local terms energy: -50.107283
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -10.041
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: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -220.849965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.849965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.849965 (E_RNA)
where:
Base-Base interactions energy: -146.599
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.222
local terms energy: -74.028545
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -195.234518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.234518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.234518 (E_RNA)
where:
Base-Base interactions energy: -117.510
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.287
local terms energy: -77.436924
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -208.533898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.533898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.533898 (E_RNA)
where:
Base-Base interactions energy: -130.924
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.005
local terms energy: -77.604448
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -185.686200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.686200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.686200 (E_RNA)
where:
Base-Base interactions energy: -118.779
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.217
local terms energy: -66.689313
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.616
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: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -177.523001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.523001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.523001 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -52.340
Base-Backbone interact. energy: 1.023
local terms energy: -63.950600
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -100.553915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.553915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.553915 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -27.645
Base-Backbone interact. energy: -2.290
local terms energy: -55.726127
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -87.996906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996906 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.075
local terms energy: -49.090086
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -0.851
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -91.775823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.775823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.775823 (E_RNA)
where:
Base-Base interactions energy: -40.690
where: short stacking energy: -22.290
Base-Backbone interact. energy: -0.391
local terms energy: -50.695162
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -6.842
flat angles P-C4'-P energy: -11.110
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: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -78.965202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.965202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.965202 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -22.690
Base-Backbone interact. energy: -0.223
local terms energy: -49.069884
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -70.350706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.350706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.350706 (E_RNA)
where:
Base-Base interactions energy: -19.026
where: short stacking energy: -18.002
Base-Backbone interact. energy: -0.094
local terms energy: -51.230595
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -6.843
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: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -202.655528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.655528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.655528 (E_RNA)
where:
Base-Base interactions energy: -125.695
where: short stacking energy: -55.204
Base-Backbone interact. energy: -3.034
local terms energy: -73.926314
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -202.852646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.852646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.852646 (E_RNA)
where:
Base-Base interactions energy: -127.659
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.004
local terms energy: -75.189463
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.967
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: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -192.015042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.015042 (E_RNA)
where:
Base-Base interactions energy: -117.417
where: short stacking energy: -52.660
Base-Backbone interact. energy: -0.085
local terms energy: -74.513020
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.037
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: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -181.317702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.317702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.317702 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -50.770
Base-Backbone interact. energy: -0.130
local terms energy: -64.870000
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -188.444660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.444660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.444660 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -54.857
Base-Backbone interact. energy: -0.001
local terms energy: -71.410443
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -20.741
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: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -102.244879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.244879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.244879 (E_RNA)
where:
Base-Base interactions energy: -58.701
where: short stacking energy: -22.501
Base-Backbone interact. energy: -0.299
local terms energy: -43.244942
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -89.167462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167462 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -27.002
Base-Backbone interact. energy: -1.691
local terms energy: -53.177718
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -7.563
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: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -80.979589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.979589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.979589 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.240
local terms energy: -54.406655
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -72.587274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.587274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.587274 (E_RNA)
where:
Base-Base interactions energy: -24.892
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.151
local terms energy: -47.543346
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.500120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.500120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.500120 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.154
local terms energy: -40.617652
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: 2.693
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -207.380980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380980 (E_RNA)
where:
Base-Base interactions energy: -132.856
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.289
local terms energy: -74.235929
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -18.501
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: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -196.280023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.280023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.280023 (E_RNA)
where:
Base-Base interactions energy: -127.739
where: short stacking energy: -50.450
Base-Backbone interact. energy: -0.117
local terms energy: -68.424507
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -196.663663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.663663 (E_RNA)
where:
Base-Base interactions energy: -128.392
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.100
local terms energy: -68.172467
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -17.693
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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -191.086987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086987 (E_RNA)
where:
Base-Base interactions energy: -116.434
where: short stacking energy: -56.083
Base-Backbone interact. energy: 1.874
local terms energy: -76.527145
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -195.273005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.273005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.273005 (E_RNA)
where:
Base-Base interactions energy: -118.887
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.172
local terms energy: -76.213504
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -120.377409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.377409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.377409 (E_RNA)
where:
Base-Base interactions energy: -63.239
where: short stacking energy: -40.325
Base-Backbone interact. energy: -0.098
local terms energy: -57.040151
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -7.615
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: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -79.562847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562847 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.188
local terms energy: -54.151300
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -6.632
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: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -73.392514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.392514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.392514 (E_RNA)
where:
Base-Base interactions energy: -21.840
where: short stacking energy: -21.840
Base-Backbone interact. energy: 0.282
local terms energy: -51.834327
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -3.168
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: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -75.464814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.464814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.464814 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.259
local terms energy: -50.515819
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -5.308
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: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -73.024265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.024265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.024265 (E_RNA)
where:
Base-Base interactions energy: -28.118
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.264
local terms energy: -44.642061
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -9.493
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -213.932515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.932515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932515 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.003
local terms energy: -79.761739
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -200.783579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.783579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.783579 (E_RNA)
where:
Base-Base interactions energy: -132.498
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.040
local terms energy: -68.245464
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -13.545
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: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -191.776925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.776925 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.381
local terms energy: -64.235732
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -197.961701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.961701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.961701 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.001
local terms energy: -71.763407
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -179.529309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.529309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.529309 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -56.618
Base-Backbone interact. energy: -0.014
local terms energy: -66.427597
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -92.729445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729445 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -37.841
Base-Backbone interact. energy: 0.174
local terms energy: -55.063250
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -1.555
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -101.486246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.486246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.486246 (E_RNA)
where:
Base-Base interactions energy: -45.283
where: short stacking energy: -29.707
Base-Backbone interact. energy: 0.164
local terms energy: -56.366347
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -10.890
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: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -83.591289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.591289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.591289 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -9.978
Base-Backbone interact. energy: 0.118
local terms energy: -48.251200
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -6.809
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -75.446092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.446092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.446092 (E_RNA)
where:
Base-Base interactions energy: -38.128
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.173
local terms energy: -37.145053
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -67.385995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.385995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.385995 (E_RNA)
where:
Base-Base interactions energy: -21.994
where: short stacking energy: -14.891
Base-Backbone interact. energy: -0.331
local terms energy: -45.060195
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -9.805
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: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -207.510117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.510117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.510117 (E_RNA)
where:
Base-Base interactions energy: -135.686
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.072
local terms energy: -71.752387
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -199.740595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.740595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.740595 (E_RNA)
where:
Base-Base interactions energy: -128.999
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.002
local terms energy: -70.739694
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -17.470
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: 310
Temperature: 1.000000
Total energy: -197.213731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.213731 (E_RNA)
where:
Base-Base interactions energy: -124.597
where: short stacking energy: -60.447
Base-Backbone interact. energy: -0.296
local terms energy: -72.320593
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -190.652412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.652412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.652412 (E_RNA)
where:
Base-Base interactions energy: -117.316
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.040
local terms energy: -73.296259
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.542
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: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -175.097721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.097721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.097721 (E_RNA)
where:
Base-Base interactions energy: -108.153
where: short stacking energy: -51.175
Base-Backbone interact. energy: 0.109
local terms energy: -67.054292
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -111.116750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.116750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.116750 (E_RNA)
where:
Base-Base interactions energy: -53.987
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.068
local terms energy: -57.062627
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -85.588689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.588689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.588689 (E_RNA)
where:
Base-Base interactions energy: -40.697
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.550
local terms energy: -44.341557
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -1.805
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: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -81.918887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.918887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.918887 (E_RNA)
where:
Base-Base interactions energy: -26.751
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.042
local terms energy: -55.126461
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -2.989
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: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -78.381795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.381795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.381795 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -28.659
Base-Backbone interact. energy: 1.020
local terms energy: -47.328781
where:
bonds (distance) C4'-P energy: -3.707
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.764
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: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -78.069875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.069875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.069875 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.147
local terms energy: -45.307639
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -5.281
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: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -202.469023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.469023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.469023 (E_RNA)
where:
Base-Base interactions energy: -130.087
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.729
local terms energy: -71.652446
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -200.015158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.015158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.015158 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.071
local terms energy: -76.732695
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -18.515
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: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -196.314460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.314460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.314460 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.027
local terms energy: -68.468199
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -17.638
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: 311
Temperature: 1.050000
Total energy: -208.693960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.693960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.693960 (E_RNA)
where:
Base-Base interactions energy: -143.154
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.563
local terms energy: -64.976791
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -14.905
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: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -190.595035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.595035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.595035 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.159
local terms energy: -67.458587
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -15.752
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: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -92.661517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.661517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.661517 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -38.322
Base-Backbone interact. energy: -0.009
local terms energy: -52.917298
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -4.214
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -87.117862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.117862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.117862 (E_RNA)
where:
Base-Base interactions energy: -26.071
where: short stacking energy: -26.071
Base-Backbone interact. energy: 0.608
local terms energy: -61.655106
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -9.772
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -79.494797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494797 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.107
local terms energy: -50.314726
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -77.863191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863191 (E_RNA)
where:
Base-Base interactions energy: -29.828
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.769
local terms energy: -47.266004
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -71.678979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.678979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.678979 (E_RNA)
where:
Base-Base interactions energy: -26.354
where: short stacking energy: -22.135
Base-Backbone interact. energy: 0.311
local terms energy: -45.635889
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -0.757
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: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -211.590197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.590197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590197 (E_RNA)
where:
Base-Base interactions energy: -141.439
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.249
local terms energy: -69.901768
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -204.599124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.599124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.599124 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.792
local terms energy: -69.411428
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -203.872052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.872052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.872052 (E_RNA)
where:
Base-Base interactions energy: -140.938
where: short stacking energy: -62.918
Base-Backbone interact. energy: -1.342
local terms energy: -61.592467
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -11.326
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: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -196.133847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.133847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.133847 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.861
local terms energy: -66.137453
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -19.361
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: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -188.402191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.402191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.402191 (E_RNA)
where:
Base-Base interactions energy: -118.630
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.019
local terms energy: -69.753154
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -96.222994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.222994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.222994 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.021
local terms energy: -60.142674
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -6.497
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -89.380345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380345 (E_RNA)
where:
Base-Base interactions energy: -35.908
where: short stacking energy: -27.624
Base-Backbone interact. energy: -0.021
local terms energy: -53.452118
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -82.057111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.057111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.057111 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.200
local terms energy: -48.631176
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -76.048642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048642 (E_RNA)
where:
Base-Base interactions energy: -23.083
where: short stacking energy: -15.397
Base-Backbone interact. energy: -0.729
local terms energy: -52.236420
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -71.663763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.663763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.663763 (E_RNA)
where:
Base-Base interactions energy: -32.130
where: short stacking energy: -27.598
Base-Backbone interact. energy: 1.336
local terms energy: -40.870156
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -0.697
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: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -214.672711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.672711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.672711 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.849
local terms energy: -78.633461
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -209.127944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127944 (E_RNA)
where:
Base-Base interactions energy: -138.245
where: short stacking energy: -53.117
Base-Backbone interact. energy: -0.269
local terms energy: -70.613967
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.972
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: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -202.504505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504505 (E_RNA)
where:
Base-Base interactions energy: -130.308
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.503
local terms energy: -71.694126
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -17.091
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: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -185.373663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.373663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.373663 (E_RNA)
where:
Base-Base interactions energy: -118.457
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.159
local terms energy: -66.758032
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -194.269223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269223 (E_RNA)
where:
Base-Base interactions energy: -117.123
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.196
local terms energy: -76.949678
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -19.741
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: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -95.299037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.299037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.299037 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.193
local terms energy: -54.107560
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.241
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: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -91.266449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.266449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.266449 (E_RNA)
where:
Base-Base interactions energy: -39.023
where: short stacking energy: -24.046
Base-Backbone interact. energy: -0.065
local terms energy: -52.177810
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -73.723758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.723758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.723758 (E_RNA)
where:
Base-Base interactions energy: -25.506
where: short stacking energy: -21.845
Base-Backbone interact. energy: -0.215
local terms energy: -48.002774
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -3.236
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -79.397935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397935 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -25.230
Base-Backbone interact. energy: -0.095
local terms energy: -55.572703
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.493
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: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -78.156716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.156716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.156716 (E_RNA)
where:
Base-Base interactions energy: -24.036
where: short stacking energy: -21.859
Base-Backbone interact. energy: -0.136
local terms energy: -53.984868
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -211.826271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.826271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.826271 (E_RNA)
where:
Base-Base interactions energy: -140.920
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.003
local terms energy: -70.903695
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -226.837186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.837186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.837186 (E_RNA)
where:
Base-Base interactions energy: -159.999
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.451
local terms energy: -66.388120
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -14.194
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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -199.586502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.586502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.586502 (E_RNA)
where:
Base-Base interactions energy: -138.560
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.467
local terms energy: -60.558763
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -14.563
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: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -185.381908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.381908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.381908 (E_RNA)
where:
Base-Base interactions energy: -114.587
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.431
local terms energy: -70.364050
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -12.692
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: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -186.087159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.087159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.087159 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.005
local terms energy: -67.290983
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -82.513571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.513571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.513571 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -30.884
Base-Backbone interact. energy: 0.558
local terms energy: -52.187657
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -2.520
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: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -98.941728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941728 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.115
local terms energy: -52.696069
where:
bonds (distance) C4'-P energy: -5.305
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -10.161
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: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -87.490546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.490546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.490546 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.191
local terms energy: -52.464622
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -77.559355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.559355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.559355 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -24.929
Base-Backbone interact. energy: 1.509
local terms energy: -47.686986
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -81.770394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770394 (E_RNA)
where:
Base-Base interactions energy: -31.081
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.440
local terms energy: -50.249321
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -208.957011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.957011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.957011 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.353
local terms energy: -65.598365
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -18.790
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: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -194.844154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.844154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.844154 (E_RNA)
where:
Base-Base interactions energy: -122.070
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.030
local terms energy: -72.743530
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.893
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -206.838650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.838650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.838650 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.449
local terms energy: -63.824972
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -179.860089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.860089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.860089 (E_RNA)
where:
Base-Base interactions energy: -112.855
where: short stacking energy: -45.983
Base-Backbone interact. energy: -0.138
local terms energy: -66.866949
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -163.053196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.053196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.053196 (E_RNA)
where:
Base-Base interactions energy: -103.990
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.346
local terms energy: -58.716540
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -115.173109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.173109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.173109 (E_RNA)
where:
Base-Base interactions energy: -59.489
where: short stacking energy: -43.123
Base-Backbone interact. energy: -0.115
local terms energy: -55.569514
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.698
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -87.145744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145744 (E_RNA)
where:
Base-Base interactions energy: -33.735
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.199
local terms energy: -53.211620
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -82.340483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.340483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.340483 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.081
local terms energy: -51.163962
where:
bonds (distance) C4'-P energy: -6.102
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -11.511
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: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -74.592916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.592916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.592916 (E_RNA)
where:
Base-Base interactions energy: -27.875
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.057
local terms energy: -46.660702
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: 0.304
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -72.430789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.430789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.430789 (E_RNA)
where:
Base-Base interactions energy: -25.001
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.193
local terms energy: -47.237161
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -213.854396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.854396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.854396 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.002
local terms energy: -75.901559
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -22.857
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -203.678955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.678955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.678955 (E_RNA)
where:
Base-Base interactions energy: -128.984
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.601
local terms energy: -74.093599
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -202.650976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.650976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.650976 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -49.227
Base-Backbone interact. energy: -0.143
local terms energy: -59.304332
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -9.213
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: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -199.430960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.430960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.430960 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.657
local terms energy: -71.752611
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.328
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: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -173.846856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.846856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.846856 (E_RNA)
where:
Base-Base interactions energy: -103.061
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.178
local terms energy: -70.607700
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.107
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: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -92.804846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804846 (E_RNA)
where:
Base-Base interactions energy: -41.959
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.066
local terms energy: -50.780119
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -86.191672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.191672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.191672 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -28.940
Base-Backbone interact. energy: 0.392
local terms energy: -56.757376
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -78.247622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.247622 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -26.548
Base-Backbone interact. energy: -0.012
local terms energy: -51.688170
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -93.527336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.527336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.527336 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -22.777
Base-Backbone interact. energy: 2.347
local terms energy: -57.852500
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.200463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.200463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.200463 (E_RNA)
where:
Base-Base interactions energy: -23.100
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.416
local terms energy: -51.684307
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -208.678534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.678534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.678534 (E_RNA)
where:
Base-Base interactions energy: -124.046
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.026
local terms energy: -84.606932
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -215.394586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.394586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.394586 (E_RNA)
where:
Base-Base interactions energy: -142.570
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.122
local terms energy: -72.702224
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -18.727
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: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -193.211798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.211798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.211798 (E_RNA)
where:
Base-Base interactions energy: -126.369
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.556
local terms energy: -66.287085
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -14.534
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: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -196.947503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.947503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.947503 (E_RNA)
where:
Base-Base interactions energy: -122.100
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.111
local terms energy: -74.735950
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -153.598982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.598982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.598982 (E_RNA)
where:
Base-Base interactions energy: -95.111
where: short stacking energy: -43.852
Base-Backbone interact. energy: -0.303
local terms energy: -58.185589
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -116.197742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.197742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.197742 (E_RNA)
where:
Base-Base interactions energy: -52.876
where: short stacking energy: -31.513
Base-Backbone interact. energy: -0.392
local terms energy: -62.929681
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -6.177
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: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -90.639454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639454 (E_RNA)
where:
Base-Base interactions energy: -31.268
where: short stacking energy: -29.503
Base-Backbone interact. energy: -0.062
local terms energy: -59.309069
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -3.877
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -79.193744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.193744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.193744 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -19.901
Base-Backbone interact. energy: -0.072
local terms energy: -47.080447
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -0.473
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: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -91.616612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616612 (E_RNA)
where:
Base-Base interactions energy: -30.753
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.130
local terms energy: -60.733248
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -67.557672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.557672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.557672 (E_RNA)
where:
Base-Base interactions energy: -15.293
where: short stacking energy: -14.555
Base-Backbone interact. energy: -0.187
local terms energy: -52.076935
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.106
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: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -216.402855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402855 (E_RNA)
where:
Base-Base interactions energy: -142.671
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.391
local terms energy: -73.341153
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.270
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: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -203.521865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521865 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.625
local terms energy: -77.803471
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.652
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: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -199.544947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.544947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.544947 (E_RNA)
where:
Base-Base interactions energy: -128.815
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.002
local terms energy: -70.727868
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -10.202
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: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -198.515290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.515290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.515290 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.004
local terms energy: -73.760336
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.773
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: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -136.961338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.961338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.961338 (E_RNA)
where:
Base-Base interactions energy: -82.242
where: short stacking energy: -39.833
Base-Backbone interact. energy: -0.281
local terms energy: -54.438682
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -7.989
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -141.069574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.069574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.069574 (E_RNA)
where:
Base-Base interactions energy: -76.051
where: short stacking energy: -40.538
Base-Backbone interact. energy: -0.954
local terms energy: -64.064710
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -8.727
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -85.871737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.871737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.871737 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -22.425
Base-Backbone interact. energy: -0.544
local terms energy: -48.133433
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -0.116
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: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -110.847290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.847290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.847290 (E_RNA)
where:
Base-Base interactions energy: -63.940
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.215
local terms energy: -46.691997
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -6.617
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: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -74.044089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.044089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.044089 (E_RNA)
where:
Base-Base interactions energy: -22.401
where: short stacking energy: -22.401
Base-Backbone interact. energy: -0.045
local terms energy: -51.598241
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -4.870
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: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -67.660557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660557 (E_RNA)
where:
Base-Base interactions energy: -19.657
where: short stacking energy: -16.727
Base-Backbone interact. energy: 0.497
local terms energy: -48.500223
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -222.167011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.167011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.167011 (E_RNA)
where:
Base-Base interactions energy: -149.831
where: short stacking energy: -58.737
Base-Backbone interact. energy: 0.025
local terms energy: -72.360804
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -205.957956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.957956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.957956 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.660
local terms energy: -74.789851
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -13.266
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -201.914006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914006 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.006
local terms energy: -78.382364
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -196.714831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.714831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.714831 (E_RNA)
where:
Base-Base interactions energy: -134.462
where: short stacking energy: -59.335
Base-Backbone interact. energy: -0.154
local terms energy: -62.098893
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -152.854752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.854752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.854752 (E_RNA)
where:
Base-Base interactions energy: -88.537
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.023
local terms energy: -64.295151
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -87.961751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.961751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.961751 (E_RNA)
where:
Base-Base interactions energy: -40.087
where: short stacking energy: -19.731
Base-Backbone interact. energy: -0.225
local terms energy: -47.649979
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -2.168
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -139.842174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.842174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.842174 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -43.067
Base-Backbone interact. energy: -0.241
local terms energy: -59.652184
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -83.525111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.525111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.525111 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -30.760
Base-Backbone interact. energy: -0.004
local terms energy: -52.761890
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -89.685461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685461 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.257
local terms energy: -54.155992
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -79.517875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517875 (E_RNA)
where:
Base-Base interactions energy: -27.453
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.141
local terms energy: -51.924064
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -217.419977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.419977 (E_RNA)
where:
Base-Base interactions energy: -141.889
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.295
local terms energy: -75.236339
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.573
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: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -201.710623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.710623 (E_RNA)
where:
Base-Base interactions energy: -127.794
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.679
local terms energy: -73.237729
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -195.448700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.448700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.448700 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -59.986
Base-Backbone interact. energy: -0.377
local terms energy: -70.585050
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -200.826360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.826360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.826360 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.060
local terms energy: -68.640531
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -153.734385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.734385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.734385 (E_RNA)
where:
Base-Base interactions energy: -94.964
where: short stacking energy: -48.519
Base-Backbone interact. energy: -0.063
local terms energy: -58.706600
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -11.003
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: 320
Temperature: 1.150000
Total energy: -89.348670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.348670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.348670 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -28.791
Base-Backbone interact. energy: -0.122
local terms energy: -55.396990
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -4.410
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: 320
Temperature: 1.200000
Total energy: -144.449639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.449639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.449639 (E_RNA)
where:
Base-Base interactions energy: -84.483
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.028
local terms energy: -59.938470
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -11.337
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: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -76.635849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.635849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.635849 (E_RNA)
where:
Base-Base interactions energy: -30.038
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.089
local terms energy: -46.509567
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -0.765
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: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -73.372007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.372007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.372007 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -27.743
Base-Backbone interact. energy: 0.017
local terms energy: -45.646741
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -80.263419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.263419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.263419 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -16.068
Base-Backbone interact. energy: -0.243
local terms energy: -48.246177
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -211.425896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.425896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.425896 (E_RNA)
where:
Base-Base interactions energy: -136.491
where: short stacking energy: -55.980
Base-Backbone interact. energy: -0.006
local terms energy: -74.929018
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -202.897577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.897577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.897577 (E_RNA)
where:
Base-Base interactions energy: -126.367
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.026
local terms energy: -76.504992
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -209.114165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.114165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.114165 (E_RNA)
where:
Base-Base interactions energy: -129.010
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.122
local terms energy: -79.982043
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -191.426215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.426215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.426215 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -64.034
Base-Backbone interact. energy: -0.072
local terms energy: -74.194047
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -21.636
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: 321
Temperature: 1.100000
Total energy: -174.975486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.975486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975486 (E_RNA)
where:
Base-Base interactions energy: -115.525
where: short stacking energy: -53.745
Base-Backbone interact. energy: -0.356
local terms energy: -59.094734
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.528
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -163.483496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.483496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.483496 (E_RNA)
where:
Base-Base interactions energy: -103.607
where: short stacking energy: -59.284
Base-Backbone interact. energy: -0.092
local terms energy: -59.784372
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -15.726
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: 321
Temperature: 1.200000
Total energy: -91.596991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596991 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.300
local terms energy: -51.041854
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -83.066807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066807 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -24.777
Base-Backbone interact. energy: -0.265
local terms energy: -45.283829
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -74.544586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.544586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.544586 (E_RNA)
where:
Base-Base interactions energy: -24.819
where: short stacking energy: -22.455
Base-Backbone interact. energy: -0.055
local terms energy: -49.669799
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -83.674275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.674275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.674275 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -16.564
Base-Backbone interact. energy: -0.201
local terms energy: -45.656623
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -6.652
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -212.531416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.531416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.531416 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.284
local terms energy: -70.265309
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -13.075
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: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -206.928032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.928032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.928032 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.002
local terms energy: -78.401665
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -21.500
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: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -201.718600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.718600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.718600 (E_RNA)
where:
Base-Base interactions energy: -129.895
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.226
local terms energy: -71.597553
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -189.841901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.841901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.841901 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.014
local terms energy: -70.198772
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -182.239837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.239837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.239837 (E_RNA)
where:
Base-Base interactions energy: -119.570
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.113
local terms energy: -62.557485
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.657
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -171.527493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.527493 (E_RNA)
where:
Base-Base interactions energy: -110.447
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.355
local terms energy: -60.726152
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -88.959749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959749 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -22.573
Base-Backbone interact. energy: -0.164
local terms energy: -50.736833
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -0.583
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: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -90.067904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.067904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.067904 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -21.164
Base-Backbone interact. energy: -0.848
local terms energy: -49.521819
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -90.952949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.952949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.952949 (E_RNA)
where:
Base-Base interactions energy: -36.411
where: short stacking energy: -28.418
Base-Backbone interact. energy: -0.449
local terms energy: -54.092980
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -70.978853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.978853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.978853 (E_RNA)
where:
Base-Base interactions energy: -17.998
where: short stacking energy: -17.998
Base-Backbone interact. energy: 1.097
local terms energy: -54.078083
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -0.574
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: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -222.481919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.481919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.481919 (E_RNA)
where:
Base-Base interactions energy: -151.141
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.197
local terms energy: -71.144528
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -211.589382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.589382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.589382 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.755
local terms energy: -81.498130
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -206.312211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.312211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.312211 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.157
local terms energy: -76.900280
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -23.296
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: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -191.173526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173526 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.145
local terms energy: -68.284938
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -191.606305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.606305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.606305 (E_RNA)
where:
Base-Base interactions energy: -118.864
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.003
local terms energy: -72.739652
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -169.092926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.092926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.092926 (E_RNA)
where:
Base-Base interactions energy: -100.957
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.053
local terms energy: -68.082849
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -87.287295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287295 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -30.919
Base-Backbone interact. energy: 1.055
local terms energy: -47.451355
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -80.016021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.016021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.016021 (E_RNA)
where:
Base-Base interactions energy: -23.861
where: short stacking energy: -14.848
Base-Backbone interact. energy: -0.205
local terms energy: -55.949855
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.867
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -77.608788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.608788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.608788 (E_RNA)
where:
Base-Base interactions energy: -32.036
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.326
local terms energy: -45.247432
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: 0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -76.647785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.647785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.647785 (E_RNA)
where:
Base-Base interactions energy: -26.494
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.064
local terms energy: -50.089977
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -3.749
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: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -221.851861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.851861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.851861 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.229
local terms energy: -78.579901
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -191.935284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935284 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.094
local terms energy: -68.798414
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.757
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: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -201.306414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.306414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.306414 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.003
local terms energy: -75.958041
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -21.134
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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -191.826160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.826160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.826160 (E_RNA)
where:
Base-Base interactions energy: -111.154
where: short stacking energy: -52.422
Base-Backbone interact. energy: -1.522
local terms energy: -79.150602
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -13.264
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: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -185.362875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.362875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.362875 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -59.626
Base-Backbone interact. energy: 0.369
local terms energy: -65.893368
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -177.073456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.073456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.073456 (E_RNA)
where:
Base-Base interactions energy: -105.958
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.016
local terms energy: -71.099540
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -97.401585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.401585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.401585 (E_RNA)
where:
Base-Base interactions energy: -42.663
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.221
local terms energy: -54.517355
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -85.479276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.479276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.479276 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.192
local terms energy: -50.378029
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -82.131255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.131255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.131255 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.133
local terms energy: -57.744218
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -80.441429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441429 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.379
local terms energy: -45.736090
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -6.908
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: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -209.792400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.792400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.792400 (E_RNA)
where:
Base-Base interactions energy: -137.378
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.828
local terms energy: -71.586130
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -16.077
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: 325
Temperature: 0.950000
Total energy: -213.011602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.011602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.011602 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.006
local terms energy: -78.974790
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -22.632
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -200.217851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.217851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.217851 (E_RNA)
where:
Base-Base interactions energy: -127.531
where: short stacking energy: -53.458
Base-Backbone interact. energy: -0.007
local terms energy: -72.679661
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -195.295669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.295669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.295669 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.002
local terms energy: -74.583872
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -14.162
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: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -180.679437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.679437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.679437 (E_RNA)
where:
Base-Base interactions energy: -110.456
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.001
local terms energy: -70.222285
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -16.300
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -171.544218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.544218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.544218 (E_RNA)
where:
Base-Base interactions energy: -110.290
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.061
local terms energy: -61.192651
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -14.556
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -91.779578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779578 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.127
local terms energy: -52.399601
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.932
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: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -85.576917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.576917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.576917 (E_RNA)
where:
Base-Base interactions energy: -34.430
where: short stacking energy: -24.837
Base-Backbone interact. energy: -1.390
local terms energy: -49.757547
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -77.470590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.470590 (E_RNA)
where:
Base-Base interactions energy: -24.520
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.017
local terms energy: -52.933034
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -70.237659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.237659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.237659 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -24.842
Base-Backbone interact. energy: -1.223
local terms energy: -40.500670
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -0.110
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: 326
Temperature: 0.900000
Total energy: -216.805269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.805269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.805269 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.224
local terms energy: -88.185008
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -219.962980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.962980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.962980 (E_RNA)
where:
Base-Base interactions energy: -149.128
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.841
local terms energy: -69.993922
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -14.986
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: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -202.790725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.790725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.790725 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.310
local terms energy: -74.590407
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -190.043136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.043136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.043136 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.024
local terms energy: -62.954691
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -12.676
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: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -189.085050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.085050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.085050 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.021
local terms energy: -65.267923
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.169
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: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -179.232089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.232089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.232089 (E_RNA)
where:
Base-Base interactions energy: -113.066
where: short stacking energy: -58.210
Base-Backbone interact. energy: 1.281
local terms energy: -67.446449
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.415
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: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -78.082465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.082465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.082465 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.338
local terms energy: -43.688610
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -7.688
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -96.596159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.596159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.596159 (E_RNA)
where:
Base-Base interactions energy: -44.540
where: short stacking energy: -39.299
Base-Backbone interact. energy: -0.022
local terms energy: -52.033662
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -10.472
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.656467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656467 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -14.016
Base-Backbone interact. energy: 0.441
local terms energy: -39.582397
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -0.668
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: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -65.298572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.298572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.298572 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -18.541
Base-Backbone interact. energy: 0.097
local terms energy: -39.752088
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -5.470
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: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -209.859855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.859855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.859855 (E_RNA)
where:
Base-Base interactions energy: -132.628
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.106
local terms energy: -77.125569
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -214.578577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.578577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.578577 (E_RNA)
where:
Base-Base interactions energy: -141.765
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.065
local terms energy: -72.748900
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -11.933
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -186.991126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.991126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.991126 (E_RNA)
where:
Base-Base interactions energy: -111.287
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.463
local terms energy: -75.241859
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -203.946980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.946980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.946980 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.006
local terms energy: -72.404975
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -6.348
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: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -178.276196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.276196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.276196 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.239
local terms energy: -63.020654
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.189
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -175.694052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.694052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.694052 (E_RNA)
where:
Base-Base interactions energy: -117.214
where: short stacking energy: -51.866
Base-Backbone interact. energy: 0.796
local terms energy: -59.275909
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -97.544826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.544826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.544826 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.233
local terms energy: -58.723807
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -78.458307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458307 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.286
local terms energy: -46.061228
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -0.588
tors. eta vs tors. theta energy: -5.765
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: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -83.452994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.452994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.452994 (E_RNA)
where:
Base-Base interactions energy: -27.903
where: short stacking energy: -26.359
Base-Backbone interact. energy: -0.059
local terms energy: -55.491086
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -11.922
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: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -76.559202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.559202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.559202 (E_RNA)
where:
Base-Base interactions energy: -19.427
where: short stacking energy: -14.797
Base-Backbone interact. energy: 0.397
local terms energy: -57.529228
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -207.530889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.530889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.530889 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.101
local terms energy: -77.453598
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -216.742508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742508 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.446
local terms energy: -72.818692
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -8.666
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -189.269321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.269321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.269321 (E_RNA)
where:
Base-Base interactions energy: -116.240
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.010
local terms energy: -73.019807
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -191.844164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.844164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.844164 (E_RNA)
where:
Base-Base interactions energy: -121.131
where: short stacking energy: -56.559
Base-Backbone interact. energy: -1.015
local terms energy: -69.698085
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -178.501779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.501779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.501779 (E_RNA)
where:
Base-Base interactions energy: -111.262
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.109
local terms energy: -67.131400
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -191.205432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.205432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.205432 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.367
local terms energy: -76.227338
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -85.456386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.456386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.456386 (E_RNA)
where:
Base-Base interactions energy: -34.783
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.253
local terms energy: -50.420198
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -8.348
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -73.515597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.515597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.515597 (E_RNA)
where:
Base-Base interactions energy: -18.586
where: short stacking energy: -16.531
Base-Backbone interact. energy: -0.208
local terms energy: -54.721202
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -77.320424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.320424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.320424 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -27.380
Base-Backbone interact. energy: 3.203
local terms energy: -45.179043
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -77.268011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.268011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.268011 (E_RNA)
where:
Base-Base interactions energy: -25.278
where: short stacking energy: -18.931
Base-Backbone interact. energy: -0.124
local terms energy: -51.866363
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -214.494202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.494202 (E_RNA)
where:
Base-Base interactions energy: -131.820
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.093
local terms energy: -82.580664
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -217.303841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.303841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.303841 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.168
local terms energy: -73.560401
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -10.264
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: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -201.696469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.696469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.696469 (E_RNA)
where:
Base-Base interactions energy: -124.391
where: short stacking energy: -62.958
Base-Backbone interact. energy: -1.953
local terms energy: -75.352236
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -187.160745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.160745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.160745 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -53.055
Base-Backbone interact. energy: -0.245
local terms energy: -75.260783
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.304
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: 329
Temperature: 1.100000
Total energy: -167.095999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.095999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.095999 (E_RNA)
where:
Base-Base interactions energy: -104.419
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.039
local terms energy: -62.638391
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -147.545681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.545681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.545681 (E_RNA)
where:
Base-Base interactions energy: -87.319
where: short stacking energy: -48.031
Base-Backbone interact. energy: -1.340
local terms energy: -58.885917
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -12.032
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -81.671007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.671007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.671007 (E_RNA)
where:
Base-Base interactions energy: -28.878
where: short stacking energy: -28.136
Base-Backbone interact. energy: -0.282
local terms energy: -52.510464
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -3.558
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: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -80.485842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.485842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.485842 (E_RNA)
where:
Base-Base interactions energy: -28.077
where: short stacking energy: -18.718
Base-Backbone interact. energy: -0.200
local terms energy: -52.209079
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -4.053
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: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -98.445892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.445892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.445892 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -32.338
Base-Backbone interact. energy: -1.536
local terms energy: -60.947387
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -7.412
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: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -80.150813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.150813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.150813 (E_RNA)
where:
Base-Base interactions energy: -16.539
where: short stacking energy: -15.340
Base-Backbone interact. energy: -0.330
local terms energy: -63.282161
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -13.268
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: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -207.221538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221538 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.333
local terms energy: -71.342719
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -203.016352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.016352 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -61.991
Base-Backbone interact. energy: -0.046
local terms energy: -78.981188
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -18.911
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: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -201.108625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.108625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.108625 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -56.850
Base-Backbone interact. energy: 1.826
local terms energy: -75.574502
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -16.269
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: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -194.541153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.541153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.541153 (E_RNA)
where:
Base-Base interactions energy: -118.025
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.001
local terms energy: -76.514936
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -164.549239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.549239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.549239 (E_RNA)
where:
Base-Base interactions energy: -104.712
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.005
local terms energy: -59.831787
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -136.387415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.387415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.387415 (E_RNA)
where:
Base-Base interactions energy: -80.552
where: short stacking energy: -37.427
Base-Backbone interact. energy: -1.038
local terms energy: -54.797229
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.801
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: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -82.767934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.767934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.767934 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -16.131
Base-Backbone interact. energy: -0.331
local terms energy: -46.125057
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -5.449
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -86.700814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.700814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.700814 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -33.298
Base-Backbone interact. energy: 0.270
local terms energy: -53.284388
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -3.419
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: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -77.831329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.831329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.831329 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.109
local terms energy: -47.844007
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -7.102
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: 330
Temperature: 1.350000
Total energy: -68.164677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.164677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.164677 (E_RNA)
where:
Base-Base interactions energy: -23.916
where: short stacking energy: -12.467
Base-Backbone interact. energy: 0.247
local terms energy: -44.496145
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: 0.729
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: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -221.499015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499015 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.112
local terms energy: -75.339248
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -210.631646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.631646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.631646 (E_RNA)
where:
Base-Base interactions energy: -128.393
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.998
local terms energy: -81.240539
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -22.913
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: 331
Temperature: 1.000000
Total energy: -201.093261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093261 (E_RNA)
where:
Base-Base interactions energy: -122.883
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.006
local terms energy: -78.204024
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -18.941
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: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -172.813868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.813868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.813868 (E_RNA)
where:
Base-Base interactions energy: -112.082
where: short stacking energy: -61.004
Base-Backbone interact. energy: 1.106
local terms energy: -61.837494
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -10.566
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -192.455477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.455477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.455477 (E_RNA)
where:
Base-Base interactions energy: -118.090
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.016
local terms energy: -74.349278
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.194
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -91.861769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.861769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.861769 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -35.046
Base-Backbone interact. energy: 0.665
local terms energy: -47.829543
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -147.342733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.342733 (E_RNA)
where:
Base-Base interactions energy: -88.255
where: short stacking energy: -50.839
Base-Backbone interact. energy: -0.063
local terms energy: -59.025322
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -11.835
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: 331
Temperature: 1.250000
Total energy: -81.107435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107435 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.265
local terms energy: -51.634565
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.112540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.112540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.112540 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -24.556
Base-Backbone interact. energy: 0.986
local terms energy: -55.200765
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -7.475
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: 331
Temperature: 1.350000
Total energy: -83.241848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241848 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -31.316
Base-Backbone interact. energy: -1.665
local terms energy: -44.293148
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -222.470533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.470533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.470533 (E_RNA)
where:
Base-Base interactions energy: -148.222
where: short stacking energy: -56.417
Base-Backbone interact. energy: 0.353
local terms energy: -74.601323
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -211.182182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182182 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.240
local terms energy: -73.056587
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -194.482136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.482136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.482136 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -61.946
Base-Backbone interact. energy: 0.668
local terms energy: -63.254059
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -164.770555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.770555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.770555 (E_RNA)
where:
Base-Base interactions energy: -97.032
where: short stacking energy: -47.907
Base-Backbone interact. energy: 0.070
local terms energy: -67.808703
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -12.067
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: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -191.181340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.181340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.181340 (E_RNA)
where:
Base-Base interactions energy: -117.004
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.000
local terms energy: -74.177157
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.222
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -119.862173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.862173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.862173 (E_RNA)
where:
Base-Base interactions energy: -68.713
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.238
local terms energy: -50.911482
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -133.955395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.955395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.955395 (E_RNA)
where:
Base-Base interactions energy: -75.035
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.181
local terms energy: -58.739401
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -7.642
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: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -78.496207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.496207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.496207 (E_RNA)
where:
Base-Base interactions energy: -23.745
where: short stacking energy: -23.745
Base-Backbone interact. energy: -0.262
local terms energy: -54.488956
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -3.730
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -77.505488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.505488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.505488 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -26.984
Base-Backbone interact. energy: -0.054
local terms energy: -49.487772
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -66.813595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.813595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.813595 (E_RNA)
where:
Base-Base interactions energy: -20.683
where: short stacking energy: -15.840
Base-Backbone interact. energy: -0.310
local terms energy: -45.819980
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -0.824
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -219.276720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.276720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.276720 (E_RNA)
where:
Base-Base interactions energy: -154.625
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.305
local terms energy: -64.346384
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -13.435
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -196.841117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.841117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841117 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.101
local terms energy: -71.569019
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.461
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -202.226965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.226965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.226965 (E_RNA)
where:
Base-Base interactions energy: -139.162
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.004
local terms energy: -63.060943
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -2.662
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: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -191.401734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.401734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.401734 (E_RNA)
where:
Base-Base interactions energy: -116.120
where: short stacking energy: -49.464
Base-Backbone interact. energy: 0.541
local terms energy: -75.822817
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.184
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: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -186.962080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.962080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.962080 (E_RNA)
where:
Base-Base interactions energy: -118.891
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.023
local terms energy: -68.048132
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.041
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: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -151.471838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.471838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.471838 (E_RNA)
where:
Base-Base interactions energy: -89.891
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.460
local terms energy: -61.120702
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -9.772
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: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -121.321780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.321780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.321780 (E_RNA)
where:
Base-Base interactions energy: -66.893
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.203
local terms energy: -54.225779
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -84.427744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427744 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.264
local terms energy: -51.801547
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -82.410587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410587 (E_RNA)
where:
Base-Base interactions energy: -27.415
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.053
local terms energy: -54.943208
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -80.410011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.410011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.410011 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -27.046
Base-Backbone interact. energy: -0.121
local terms energy: -53.046389
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -225.458818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.458818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.458818 (E_RNA)
where:
Base-Base interactions energy: -154.257
where: short stacking energy: -58.258
Base-Backbone interact. energy: 0.159
local terms energy: -71.360867
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -201.613563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613563 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.102
local terms energy: -72.447831
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -191.264851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264851 (E_RNA)
where:
Base-Base interactions energy: -127.445
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.025
local terms energy: -63.794772
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -18.589
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: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -192.719013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.719013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.719013 (E_RNA)
where:
Base-Base interactions energy: -119.981
where: short stacking energy: -53.581
Base-Backbone interact. energy: -0.103
local terms energy: -72.634740
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -200.549400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.549400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.549400 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -57.580
Base-Backbone interact. energy: -0.646
local terms energy: -68.652750
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -101.869435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.869435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.869435 (E_RNA)
where:
Base-Base interactions energy: -47.138
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.246
local terms energy: -54.485817
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.911
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -103.731947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.731947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.731947 (E_RNA)
where:
Base-Base interactions energy: -56.546
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.383
local terms energy: -46.803252
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -2.449
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -3.369
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: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -84.712772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712772 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.043
local terms energy: -50.614953
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.000
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: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -77.865236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.865236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.865236 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -20.457
Base-Backbone interact. energy: -0.203
local terms energy: -48.492957
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: 3.233
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: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -73.805739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.805739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.805739 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -32.875
Base-Backbone interact. energy: -0.050
local terms energy: -40.880260
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -223.412410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412410 (E_RNA)
where:
Base-Base interactions energy: -150.471
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.379
local terms energy: -72.561593
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -17.558
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: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -204.796181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.796181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796181 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -66.164
Base-Backbone interact. energy: -0.003
local terms energy: -75.505261
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -192.323573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.323573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.323573 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.089
local terms energy: -65.890120
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -195.647966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.647966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.647966 (E_RNA)
where:
Base-Base interactions energy: -119.542
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.060
local terms energy: -76.045875
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -19.965
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: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -184.449692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.449692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.449692 (E_RNA)
where:
Base-Base interactions energy: -119.688
where: short stacking energy: -64.362
Base-Backbone interact. energy: -1.783
local terms energy: -62.978892
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -91.917638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.917638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.917638 (E_RNA)
where:
Base-Base interactions energy: -42.480
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.096
local terms energy: -49.341437
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -85.381738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381738 (E_RNA)
where:
Base-Base interactions energy: -34.390
where: short stacking energy: -26.440
Base-Backbone interact. energy: -0.048
local terms energy: -50.943759
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -94.787678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.787678 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -26.916
Base-Backbone interact. energy: 0.192
local terms energy: -52.902670
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -77.300898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.300898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.300898 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -22.390
Base-Backbone interact. energy: -0.434
local terms energy: -46.019397
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -68.014689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.014689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.014689 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.322
local terms energy: -41.453855
where:
bonds (distance) C4'-P energy: -2.574
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -2.618
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: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -209.360796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.360796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360796 (E_RNA)
where:
Base-Base interactions energy: -137.831
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.125
local terms energy: -71.404966
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -20.670
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: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -218.802656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.802656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.802656 (E_RNA)
where:
Base-Base interactions energy: -148.324
where: short stacking energy: -62.460
Base-Backbone interact. energy: 0.552
local terms energy: -71.030172
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -17.748
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -197.008275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.008275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.008275 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -56.487
Base-Backbone interact. energy: -0.288
local terms energy: -79.418615
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -10.821
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -197.825004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.825004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.825004 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.638
local terms energy: -74.031913
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -188.964704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964704 (E_RNA)
where:
Base-Base interactions energy: -121.002
where: short stacking energy: -51.427
Base-Backbone interact. energy: -0.017
local terms energy: -67.945328
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -139.693174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.693174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.693174 (E_RNA)
where:
Base-Base interactions energy: -76.031
where: short stacking energy: -38.614
Base-Backbone interact. energy: -0.319
local terms energy: -63.342967
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -7.979
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: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -89.441494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.441494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.441494 (E_RNA)
where:
Base-Base interactions energy: -44.293
where: short stacking energy: -19.302
Base-Backbone interact. energy: -0.213
local terms energy: -44.935145
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -7.823
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -88.160194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160194 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -28.087
Base-Backbone interact. energy: -0.010
local terms energy: -55.099803
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -76.828944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.828944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.828944 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -21.266
Base-Backbone interact. energy: -0.245
local terms energy: -52.548874
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -2.910
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -75.068079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.068079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.068079 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -26.634
Base-Backbone interact. energy: 0.192
local terms energy: -43.238373
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -5.921
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: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -211.234120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.234120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.234120 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.593
local terms energy: -77.560821
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -202.993726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.993726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.993726 (E_RNA)
where:
Base-Base interactions energy: -131.212
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.576
local terms energy: -71.205922
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -7.015
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -20.059
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -200.554321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.554321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.554321 (E_RNA)
where:
Base-Base interactions energy: -136.193
where: short stacking energy: -58.231
Base-Backbone interact. energy: 0.008
local terms energy: -64.369450
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -182.809844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.809844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.809844 (E_RNA)
where:
Base-Base interactions energy: -114.726
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.661
local terms energy: -67.422237
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -184.552165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.552165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.552165 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -45.833
Base-Backbone interact. energy: -0.641
local terms energy: -70.936280
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -154.787906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.787906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.787906 (E_RNA)
where:
Base-Base interactions energy: -86.562
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.932
local terms energy: -67.293838
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.221
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: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -79.081208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.081208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.081208 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.212
local terms energy: -46.867671
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -91.576503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576503 (E_RNA)
where:
Base-Base interactions energy: -39.324
where: short stacking energy: -33.456
Base-Backbone interact. energy: 0.800
local terms energy: -53.052342
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -87.890304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.890304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.890304 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.233
local terms energy: -47.385285
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -66.390161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.390161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.390161 (E_RNA)
where:
Base-Base interactions energy: -14.180
where: short stacking energy: -10.244
Base-Backbone interact. energy: -0.025
local terms energy: -52.185263
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -205.289359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289359 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -62.249
Base-Backbone interact. energy: -0.088
local terms energy: -75.008524
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -208.230546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.230546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.230546 (E_RNA)
where:
Base-Base interactions energy: -133.628
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.228
local terms energy: -74.375530
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.771
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: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -198.232332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.232332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.232332 (E_RNA)
where:
Base-Base interactions energy: -121.947
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.598
local terms energy: -75.687347
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -207.542505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.542505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.542505 (E_RNA)
where:
Base-Base interactions energy: -143.128
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.190
local terms energy: -64.224329
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.420
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -170.212432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212432 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -50.461
Base-Backbone interact. energy: 0.393
local terms energy: -71.404911
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -17.621
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: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -182.222948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.222948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.222948 (E_RNA)
where:
Base-Base interactions energy: -115.414
where: short stacking energy: -51.213
Base-Backbone interact. energy: -0.045
local terms energy: -66.764132
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -81.176824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176824 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.048
local terms energy: -51.577545
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.211
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: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -92.683755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.683755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.683755 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -33.468
Base-Backbone interact. energy: 0.370
local terms energy: -55.132152
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -10.104
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: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -77.376823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.376823 (E_RNA)
where:
Base-Base interactions energy: -31.175
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.006
local terms energy: -46.195876
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -1.688
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: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -69.562773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.562773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.562773 (E_RNA)
where:
Base-Base interactions energy: -25.579
where: short stacking energy: -25.579
Base-Backbone interact. energy: -0.075
local terms energy: -43.909196
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -3.813
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: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -205.811948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.811948 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.714
local terms energy: -77.824166
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -8.577
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: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -204.096267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.096267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.096267 (E_RNA)
where:
Base-Base interactions energy: -127.809
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.003
local terms energy: -76.283862
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -204.746698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.746698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.746698 (E_RNA)
where:
Base-Base interactions energy: -128.198
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.053
local terms energy: -76.495022
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -205.323000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.323000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.323000 (E_RNA)
where:
Base-Base interactions energy: -135.050
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.275
local terms energy: -69.998556
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -164.385149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.385149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.385149 (E_RNA)
where:
Base-Base interactions energy: -95.685
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.002
local terms energy: -68.698779
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -11.205
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: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -177.627698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.627698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.627698 (E_RNA)
where:
Base-Base interactions energy: -110.522
where: short stacking energy: -47.011
Base-Backbone interact. energy: -0.321
local terms energy: -66.784835
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -11.616
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: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -89.154702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154702 (E_RNA)
where:
Base-Base interactions energy: -42.698
where: short stacking energy: -19.827
Base-Backbone interact. energy: 1.763
local terms energy: -48.219380
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -85.726229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.726229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.726229 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.392
local terms energy: -53.483960
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.627
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: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -76.825506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.825506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.825506 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -27.369
Base-Backbone interact. energy: -1.258
local terms energy: -43.767800
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: 2.146
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -71.244536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.244536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.244536 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -20.601
Base-Backbone interact. energy: 0.136
local terms energy: -43.527872
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -4.856
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -210.911181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.911181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.911181 (E_RNA)
where:
Base-Base interactions energy: -138.540
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.012
local terms energy: -72.359094
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.690
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: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -210.581773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.581773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.581773 (E_RNA)
where:
Base-Base interactions energy: -134.264
where: short stacking energy: -68.043
Base-Backbone interact. energy: -0.039
local terms energy: -76.279052
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -6.671
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -215.988447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.988447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.988447 (E_RNA)
where:
Base-Base interactions energy: -138.244
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.376
local terms energy: -77.368218
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -199.471957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.471957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.471957 (E_RNA)
where:
Base-Base interactions energy: -121.818
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.108
local terms energy: -77.546301
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -186.620055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.620055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.620055 (E_RNA)
where:
Base-Base interactions energy: -110.540
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.766
local terms energy: -75.314326
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -151.107159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.107159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.107159 (E_RNA)
where:
Base-Base interactions energy: -86.751
where: short stacking energy: -47.996
Base-Backbone interact. energy: -0.005
local terms energy: -64.350711
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -83.316712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.316712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.316712 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -28.824
Base-Backbone interact. energy: -1.068
local terms energy: -45.192634
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -5.946
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -2.321
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -76.742286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.742286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.742286 (E_RNA)
where:
Base-Base interactions energy: -28.096
where: short stacking energy: -27.973
Base-Backbone interact. energy: -0.030
local terms energy: -48.616234
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -5.335
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: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -77.787954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787954 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -26.020
Base-Backbone interact. energy: 0.654
local terms energy: -52.421994
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -6.530
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: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -83.937009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.937009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.937009 (E_RNA)
where:
Base-Base interactions energy: -43.403
where: short stacking energy: -19.478
Base-Backbone interact. energy: -0.225
local terms energy: -40.309140
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: 1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -203.125507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.125507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.125507 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.211
local terms energy: -73.949650
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -14.848
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -205.177354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.177354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.177354 (E_RNA)
where:
Base-Base interactions energy: -133.941
where: short stacking energy: -54.449
Base-Backbone interact. energy: 0.933
local terms energy: -72.168946
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -13.843
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -196.065599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.065599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.065599 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.032
local terms energy: -68.763297
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -181.116851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.116851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116851 (E_RNA)
where:
Base-Base interactions energy: -114.365
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.106
local terms energy: -66.645526
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -184.840577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.840577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.840577 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -50.084
Base-Backbone interact. energy: -0.182
local terms energy: -65.748904
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -147.458106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.458106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.458106 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.001
local terms energy: -63.407774
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -90.262252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.262252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.262252 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -30.502
Base-Backbone interact. energy: 0.896
local terms energy: -47.199049
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -87.448816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448816 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.549
local terms energy: -58.713107
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -76.513013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.513013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.513013 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.111
local terms energy: -50.197198
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -1.898
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: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -81.485023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485023 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.272
local terms energy: -48.394922
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -220.336830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.336830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.336830 (E_RNA)
where:
Base-Base interactions energy: -149.163
where: short stacking energy: -53.831
Base-Backbone interact. energy: -1.296
local terms energy: -69.877885
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -200.531522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.531522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.531522 (E_RNA)
where:
Base-Base interactions energy: -120.768
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.495
local terms energy: -79.268446
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -15.365
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: 342
Temperature: 1.000000
Total energy: -199.998950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.998950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.998950 (E_RNA)
where:
Base-Base interactions energy: -124.290
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.080
local terms energy: -75.628557
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -189.644844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.644844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.644844 (E_RNA)
where:
Base-Base interactions energy: -120.685
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.190
local terms energy: -68.770100
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -164.162491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.162491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.162491 (E_RNA)
where:
Base-Base interactions energy: -92.529
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.035
local terms energy: -71.598261
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -176.428404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.428404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.428404 (E_RNA)
where:
Base-Base interactions energy: -110.141
where: short stacking energy: -49.642
Base-Backbone interact. energy: -0.125
local terms energy: -66.162819
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -14.480
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: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -90.491606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.491606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.491606 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -17.575
Base-Backbone interact. energy: -0.164
local terms energy: -52.455836
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -75.320631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.320631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.320631 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -31.542
Base-Backbone interact. energy: 0.556
local terms energy: -42.808647
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -5.374
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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -75.510091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.510091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.510091 (E_RNA)
where:
Base-Base interactions energy: -26.351
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.793
local terms energy: -48.365666
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -89.049659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049659 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.114
local terms energy: -54.668873
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.626096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.626096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.626096 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.809
local terms energy: -72.501886
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -17.284
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: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -205.139220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.139220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.139220 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.002
local terms energy: -73.124491
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -191.120731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.120731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.120731 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -51.074
Base-Backbone interact. energy: -0.093
local terms energy: -67.123744
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -193.401223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.401223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.401223 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.139
local terms energy: -72.416028
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -145.023475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.023475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.023475 (E_RNA)
where:
Base-Base interactions energy: -81.100
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.027
local terms energy: -63.896186
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -153.721553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.721553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.721553 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.075
local terms energy: -57.283354
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -8.666
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.621
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: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -86.717375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.717375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.717375 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -21.537
Base-Backbone interact. energy: 0.454
local terms energy: -57.928210
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -10.920
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: 343
Temperature: 1.250000
Total energy: -76.252681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.252681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.252681 (E_RNA)
where:
Base-Base interactions energy: -31.901
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.126
local terms energy: -44.226040
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -2.152
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: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -75.791221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791221 (E_RNA)
where:
Base-Base interactions energy: -21.353
where: short stacking energy: -21.353
Base-Backbone interact. energy: -0.104
local terms energy: -54.334248
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.606
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: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -88.720111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.720111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.720111 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -18.905
Base-Backbone interact. energy: 0.105
local terms energy: -48.371241
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -2.657
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: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -221.533057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.533057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.533057 (E_RNA)
where:
Base-Base interactions energy: -154.713
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.444
local terms energy: -66.375363
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.982
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: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -192.183963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.183963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.183963 (E_RNA)
where:
Base-Base interactions energy: -115.514
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.002
local terms energy: -76.667578
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.261
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: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -192.901886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.901886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.901886 (E_RNA)
where:
Base-Base interactions energy: -121.464
where: short stacking energy: -53.731
Base-Backbone interact. energy: 0.970
local terms energy: -72.407057
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -15.844
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: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -192.039378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.039378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.039378 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -52.631
Base-Backbone interact. energy: 0.803
local terms energy: -76.350113
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -12.836
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: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -158.393007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.393007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.393007 (E_RNA)
where:
Base-Base interactions energy: -98.805
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.186
local terms energy: -59.401220
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -12.474
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -144.549865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.549865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.549865 (E_RNA)
where:
Base-Base interactions energy: -80.582
where: short stacking energy: -42.197
Base-Backbone interact. energy: -0.004
local terms energy: -63.963908
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -12.064
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: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -92.988346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988346 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.101
local terms energy: -55.234760
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -77.986266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.986266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.986266 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -27.790
Base-Backbone interact. energy: -0.301
local terms energy: -44.418180
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -9.453
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: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -97.893921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.893921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.893921 (E_RNA)
where:
Base-Base interactions energy: -43.036
where: short stacking energy: -26.578
Base-Backbone interact. energy: -0.258
local terms energy: -54.599526
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -4.490
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: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -70.793268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.793268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.793268 (E_RNA)
where:
Base-Base interactions energy: -25.537
where: short stacking energy: -21.141
Base-Backbone interact. energy: -0.277
local terms energy: -44.978952
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -214.714808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.714808 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.241
local terms energy: -71.607503
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.292
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -216.627571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627571 (E_RNA)
where:
Base-Base interactions energy: -135.447
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.041
local terms energy: -81.139279
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.769
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: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -196.961296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.961296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.961296 (E_RNA)
where:
Base-Base interactions energy: -124.027
where: short stacking energy: -57.268
Base-Backbone interact. energy: -0.144
local terms energy: -72.789747
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -195.366373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.366373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.366373 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.062
local terms energy: -72.827114
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -153.527714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.527714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.527714 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.021
local terms energy: -60.109975
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -10.869
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: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -130.866222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.866222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.866222 (E_RNA)
where:
Base-Base interactions energy: -81.176
where: short stacking energy: -31.394
Base-Backbone interact. energy: -3.082
local terms energy: -46.608947
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -93.392071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392071 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -29.469
Base-Backbone interact. energy: -0.107
local terms energy: -56.572862
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.561
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -91.401303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.401303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.401303 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.359
local terms energy: -48.744556
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -74.135865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.135865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.135865 (E_RNA)
where:
Base-Base interactions energy: -19.887
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.696
local terms energy: -53.553656
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -7.843
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: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -69.987699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.987699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.987699 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -24.478
Base-Backbone interact. energy: 0.446
local terms energy: -45.955867
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -215.002669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.002669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.002669 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.140
local terms energy: -79.850420
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -22.598
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: 346
Temperature: 0.950000
Total energy: -226.116461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.116461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.116461 (E_RNA)
where:
Base-Base interactions energy: -157.295
where: short stacking energy: -56.442
Base-Backbone interact. energy: 0.958
local terms energy: -69.779255
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -206.507224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.507224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.507224 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.089
local terms energy: -78.217605
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -10.819
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: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -195.876621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.876621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.876621 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.087
local terms energy: -61.160274
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -143.237941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.237941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.237941 (E_RNA)
where:
Base-Base interactions energy: -79.626
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.103
local terms energy: -63.509474
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -165.848746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.848746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.848746 (E_RNA)
where:
Base-Base interactions energy: -99.685
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.001
local terms energy: -66.162887
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -9.618
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: 346
Temperature: 1.200000
Total energy: -89.645369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645369 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.251
local terms energy: -57.364807
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -10.886
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -79.282550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.282550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.282550 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.503
local terms energy: -46.931560
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -74.782233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.782233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.782233 (E_RNA)
where:
Base-Base interactions energy: -22.049
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.628
local terms energy: -52.105323
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -1.962
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: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -70.776121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.776121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.776121 (E_RNA)
where:
Base-Base interactions energy: -27.533
where: short stacking energy: -10.207
Base-Backbone interact. energy: -0.484
local terms energy: -42.758994
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: 1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -205.056361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.056361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.056361 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.020
local terms energy: -78.282548
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -207.018414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.018414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.018414 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.001
local terms energy: -80.995575
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -211.413110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413110 (E_RNA)
where:
Base-Base interactions energy: -142.122
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.527
local terms energy: -68.764418
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -193.230158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.230158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230158 (E_RNA)
where:
Base-Base interactions energy: -120.549
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.466
local terms energy: -72.214755
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -20.838
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: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -150.136623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.136623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.136623 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.124
local terms energy: -66.021526
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.799
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: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -157.838750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.838750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.838750 (E_RNA)
where:
Base-Base interactions energy: -91.364
where: short stacking energy: -58.502
Base-Backbone interact. energy: -0.041
local terms energy: -66.433504
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -85.357428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357428 (E_RNA)
where:
Base-Base interactions energy: -42.860
where: short stacking energy: -18.700
Base-Backbone interact. energy: -0.244
local terms energy: -42.253226
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -6.711
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: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -76.626157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.626157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.626157 (E_RNA)
where:
Base-Base interactions energy: -40.044
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.713
local terms energy: -35.868609
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.233017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233017 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.059
local terms energy: -46.616024
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -8.031
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: 347
Temperature: 1.350000
Total energy: -78.037184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.037184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.037184 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -27.070
Base-Backbone interact. energy: 0.405
local terms energy: -51.372083
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -211.782789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.782789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.782789 (E_RNA)
where:
Base-Base interactions energy: -133.067
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.007
local terms energy: -78.709279
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -205.263175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263175 (E_RNA)
where:
Base-Base interactions energy: -121.377
where: short stacking energy: -54.269
Base-Backbone interact. energy: -1.443
local terms energy: -82.442896
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -21.645
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: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -212.051665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.051665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.051665 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.081
local terms energy: -72.174311
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -182.354799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.354799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.354799 (E_RNA)
where:
Base-Base interactions energy: -111.284
where: short stacking energy: -55.611
Base-Backbone interact. energy: -0.039
local terms energy: -71.031373
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.895
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: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -159.002147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.002147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.002147 (E_RNA)
where:
Base-Base interactions energy: -98.153
where: short stacking energy: -40.109
Base-Backbone interact. energy: 0.365
local terms energy: -61.214564
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -11.218
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: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -153.033720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.033720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.033720 (E_RNA)
where:
Base-Base interactions energy: -82.749
where: short stacking energy: -49.766
Base-Backbone interact. energy: -0.064
local terms energy: -70.220843
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.526
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: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -93.273369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.273369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.273369 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.065
local terms energy: -51.853107
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.221
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: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.579549 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.014
local terms energy: -50.269204
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -1.170
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: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -74.080336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.080336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.080336 (E_RNA)
where:
Base-Base interactions energy: -21.719
where: short stacking energy: -18.117
Base-Backbone interact. energy: -0.198
local terms energy: -52.163198
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: 1.221
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: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -77.399281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399281 (E_RNA)
where:
Base-Base interactions energy: -28.175
where: short stacking energy: -16.629
Base-Backbone interact. energy: -0.017
local terms energy: -49.208060
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -0.091
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: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -217.132711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.132711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.132711 (E_RNA)
where:
Base-Base interactions energy: -142.310
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.158
local terms energy: -74.665282
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -222.731126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.731126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.731126 (E_RNA)
where:
Base-Base interactions energy: -146.007
where: short stacking energy: -59.112
Base-Backbone interact. energy: -0.216
local terms energy: -76.508523
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -200.920687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920687 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.034
local terms energy: -73.942425
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.535
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: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -186.627233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.627233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.627233 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.172
local terms energy: -64.221455
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -11.772
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: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -160.682081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.682081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.682081 (E_RNA)
where:
Base-Base interactions energy: -94.723
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.238
local terms energy: -65.720531
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -12.286
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: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -162.112300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.112300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.112300 (E_RNA)
where:
Base-Base interactions energy: -97.712
where: short stacking energy: -38.188
Base-Backbone interact. energy: -1.027
local terms energy: -63.373267
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -8.646
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: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -78.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.258943 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -17.537
Base-Backbone interact. energy: 0.415
local terms energy: -49.956863
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.490379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.490379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.490379 (E_RNA)
where:
Base-Base interactions energy: -42.772
where: short stacking energy: -33.131
Base-Backbone interact. energy: 0.402
local terms energy: -50.119794
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -4.274
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: 349
Temperature: 1.300000
Total energy: -78.173970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.173970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.173970 (E_RNA)
where:
Base-Base interactions energy: -27.274
where: short stacking energy: -21.201
Base-Backbone interact. energy: -0.108
local terms energy: -50.792068
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -7.931
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -69.358273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.358273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.358273 (E_RNA)
where:
Base-Base interactions energy: -28.510
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.033
local terms energy: -40.815144
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -0.087
tors. eta vs tors. theta energy: -4.434
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: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -221.855392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.855392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.855392 (E_RNA)
where:
Base-Base interactions energy: -142.545
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.363
local terms energy: -78.947335
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -14.568
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: 350
Temperature: 0.950000
Total energy: -201.637624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.637624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.637624 (E_RNA)
where:
Base-Base interactions energy: -127.781
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.022
local terms energy: -73.834151
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -204.791969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791969 (E_RNA)
where:
Base-Base interactions energy: -133.720
where: short stacking energy: -61.925
Base-Backbone interact. energy: -0.022
local terms energy: -71.049808
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -7.453
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -184.539764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.539764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.539764 (E_RNA)
where:
Base-Base interactions energy: -109.994
where: short stacking energy: -44.863
Base-Backbone interact. energy: -0.089
local terms energy: -74.456963
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -168.621355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.621355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.621355 (E_RNA)
where:
Base-Base interactions energy: -97.269
where: short stacking energy: -47.346
Base-Backbone interact. energy: -0.145
local terms energy: -71.207253
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -16.467
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -152.431933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.431933 (E_RNA)
where:
Base-Base interactions energy: -95.728
where: short stacking energy: -39.314
Base-Backbone interact. energy: -0.496
local terms energy: -56.207744
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -78.654691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.654691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.654691 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -18.531
Base-Backbone interact. energy: 1.802
local terms energy: -45.363557
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -83.445202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445202 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -26.564
Base-Backbone interact. energy: -0.201
local terms energy: -51.127053
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -78.509176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.509176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.509176 (E_RNA)
where:
Base-Base interactions energy: -30.276
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.140
local terms energy: -48.093469
where:
bonds (distance) C4'-P energy: -4.547
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -7.651
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: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -74.187339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.187339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.187339 (E_RNA)
where:
Base-Base interactions energy: -21.033
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.053
local terms energy: -53.101923
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -230.133803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133803 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.342
local terms energy: -80.250309
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -203.442023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.442023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442023 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.013
local terms energy: -72.062414
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -201.234626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234626 (E_RNA)
where:
Base-Base interactions energy: -135.375
where: short stacking energy: -60.702
Base-Backbone interact. energy: 0.501
local terms energy: -66.361279
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.822
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: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -198.146121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.146121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.146121 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.001
local terms energy: -78.477759
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -171.104764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.104764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.104764 (E_RNA)
where:
Base-Base interactions energy: -109.204
where: short stacking energy: -50.300
Base-Backbone interact. energy: -0.037
local terms energy: -61.863308
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -146.108020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.108020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.108020 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.139
local terms energy: -55.213036
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -7.881
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: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -94.594530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.594530 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.032
local terms energy: -62.198993
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -8.089
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: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -78.391148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.391148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.391148 (E_RNA)
where:
Base-Base interactions energy: -30.330
where: short stacking energy: -12.983
Base-Backbone interact. energy: -0.407
local terms energy: -47.653609
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: 3.499
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: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -77.668129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.668129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.668129 (E_RNA)
where:
Base-Base interactions energy: -29.718
where: short stacking energy: -22.604
Base-Backbone interact. energy: -1.361
local terms energy: -46.589172
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -1.354
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -70.541582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.541582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.541582 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -23.403
Base-Backbone interact. energy: 0.316
local terms energy: -44.937192
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -8.078
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -208.334335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.334335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334335 (E_RNA)
where:
Base-Base interactions energy: -140.780
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.414
local terms energy: -67.140410
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -7.168
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: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -214.411594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.411594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.411594 (E_RNA)
where:
Base-Base interactions energy: -141.117
where: short stacking energy: -53.008
Base-Backbone interact. energy: -0.382
local terms energy: -72.912541
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -198.964698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.964698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.964698 (E_RNA)
where:
Base-Base interactions energy: -122.933
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.103
local terms energy: -75.928676
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -193.504532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.504532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.504532 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.017
local terms energy: -74.635807
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -15.740
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: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -157.757163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.757163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.757163 (E_RNA)
where:
Base-Base interactions energy: -98.772
where: short stacking energy: -36.067
Base-Backbone interact. energy: -0.153
local terms energy: -58.832560
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -7.437
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: 352
Temperature: 1.150000
Total energy: -136.462149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.462149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.462149 (E_RNA)
where:
Base-Base interactions energy: -79.709
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.182
local terms energy: -56.571369
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -81.486936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.486936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.486936 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -23.361
Base-Backbone interact. energy: 0.190
local terms energy: -48.279022
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -90.544258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544258 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.085
local terms energy: -59.546221
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -6.487
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -77.098616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.098616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.098616 (E_RNA)
where:
Base-Base interactions energy: -22.443
where: short stacking energy: -22.443
Base-Backbone interact. energy: -0.161
local terms energy: -54.495007
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -71.265781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.265781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.265781 (E_RNA)
where:
Base-Base interactions energy: -21.808
where: short stacking energy: -21.808
Base-Backbone interact. energy: -0.190
local terms energy: -49.267883
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -218.049688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.049688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.049688 (E_RNA)
where:
Base-Base interactions energy: -139.568
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.002
local terms energy: -78.479809
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -201.394803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394803 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.133
local terms energy: -72.949010
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.535
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: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -219.515583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.515583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.515583 (E_RNA)
where:
Base-Base interactions energy: -148.323
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.218
local terms energy: -70.974958
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -15.210
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: 353
Temperature: 1.050000
Total energy: -187.247203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247203 (E_RNA)
where:
Base-Base interactions energy: -120.208
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.106
local terms energy: -66.933375
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -180.946403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.946403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.946403 (E_RNA)
where:
Base-Base interactions energy: -108.757
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.066
local terms energy: -72.122723
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -93.797984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797984 (E_RNA)
where:
Base-Base interactions energy: -37.208
where: short stacking energy: -29.291
Base-Backbone interact. energy: -0.135
local terms energy: -56.454864
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -97.471483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.471483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.471483 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.966
local terms energy: -53.075006
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -5.245
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -76.321154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.321154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.321154 (E_RNA)
where:
Base-Base interactions energy: -27.736
where: short stacking energy: -27.457
Base-Backbone interact. energy: 0.015
local terms energy: -48.599533
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.792
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: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -70.764153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.764153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.764153 (E_RNA)
where:
Base-Base interactions energy: -21.928
where: short stacking energy: -21.928
Base-Backbone interact. energy: -0.200
local terms energy: -48.635736
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -1.494
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: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -76.892749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892749 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -21.473
Base-Backbone interact. energy: -0.112
local terms energy: -55.398003
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -207.477980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.477980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.477980 (E_RNA)
where:
Base-Base interactions energy: -134.662
where: short stacking energy: -66.938
Base-Backbone interact. energy: 1.965
local terms energy: -74.780836
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.581
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: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -202.890650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.890650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.890650 (E_RNA)
where:
Base-Base interactions energy: -126.136
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.000
local terms energy: -76.754369
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -21.863
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: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -211.825367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.825367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.825367 (E_RNA)
where:
Base-Base interactions energy: -143.267
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.213
local terms energy: -68.345779
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -189.233308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.233308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.233308 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -54.483
Base-Backbone interact. energy: -0.113
local terms energy: -65.709519
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -95.810467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.810467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.810467 (E_RNA)
where:
Base-Base interactions energy: -40.378
where: short stacking energy: -30.995
Base-Backbone interact. energy: 0.315
local terms energy: -55.748093
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -164.689542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.689542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.689542 (E_RNA)
where:
Base-Base interactions energy: -95.349
where: short stacking energy: -46.539
Base-Backbone interact. energy: -0.099
local terms energy: -69.241576
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -87.537459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.537459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.537459 (E_RNA)
where:
Base-Base interactions energy: -31.518
where: short stacking energy: -28.639
Base-Backbone interact. energy: 1.470
local terms energy: -57.488995
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -8.983
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: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -85.028664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028664 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.162
local terms energy: -56.189130
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -0.952
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: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -77.494755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.494755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.494755 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.267
local terms energy: -48.934978
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -66.771524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.771524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.771524 (E_RNA)
where:
Base-Base interactions energy: -18.882
where: short stacking energy: -15.887
Base-Backbone interact. energy: -0.270
local terms energy: -47.618795
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: 3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -203.993270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993270 (E_RNA)
where:
Base-Base interactions energy: -133.274
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.056
local terms energy: -70.663522
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -16.321
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: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -207.082886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.082886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.082886 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.401
local terms energy: -77.773741
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -210.163543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.163543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163543 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -58.463
Base-Backbone interact. energy: -2.291
local terms energy: -74.074907
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.957
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: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -203.204614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.204614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.204614 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.009
local terms energy: -73.306376
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.256
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: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -95.970747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970747 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.359
local terms energy: -58.483594
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.873
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: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -176.435203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.435203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.435203 (E_RNA)
where:
Base-Base interactions energy: -106.202
where: short stacking energy: -52.668
Base-Backbone interact. energy: -1.415
local terms energy: -68.817974
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -15.240
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -88.206481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.206481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.206481 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -35.494
Base-Backbone interact. energy: 1.468
local terms energy: -53.993140
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -89.770287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.770287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.770287 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -32.184
Base-Backbone interact. energy: 0.083
local terms energy: -51.803146
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -77.433649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433649 (E_RNA)
where:
Base-Base interactions energy: -22.879
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.147
local terms energy: -54.407775
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -80.268724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268724 (E_RNA)
where:
Base-Base interactions energy: -31.989
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.117
local terms energy: -48.162956
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -215.392922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.392922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.392922 (E_RNA)
where:
Base-Base interactions energy: -138.252
where: short stacking energy: -68.672
Base-Backbone interact. energy: 0.332
local terms energy: -77.472690
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -11.395
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -207.311486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.311486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.311486 (E_RNA)
where:
Base-Base interactions energy: -135.856
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.017
local terms energy: -71.438873
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -202.359595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.359595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.359595 (E_RNA)
where:
Base-Base interactions energy: -125.638
where: short stacking energy: -65.530
Base-Backbone interact. energy: 0.048
local terms energy: -76.769106
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -201.160138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.160138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.160138 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.000
local terms energy: -61.619430
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -190.807003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.807003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.807003 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.834
local terms energy: -71.208439
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -98.281595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.281595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.281595 (E_RNA)
where:
Base-Base interactions energy: -42.185
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.037
local terms energy: -56.059367
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -12.094
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -91.720022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.720022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.720022 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -30.585
Base-Backbone interact. energy: -0.111
local terms energy: -55.354315
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -77.645908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.645908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.645908 (E_RNA)
where:
Base-Base interactions energy: -25.650
where: short stacking energy: -25.080
Base-Backbone interact. energy: -0.036
local terms energy: -51.960145
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -8.977
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: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -77.279315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.279315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.279315 (E_RNA)
where:
Base-Base interactions energy: -33.081
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.171
local terms energy: -44.027767
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -71.538514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.538514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.538514 (E_RNA)
where:
Base-Base interactions energy: -18.348
where: short stacking energy: -17.870
Base-Backbone interact. energy: 0.368
local terms energy: -53.558501
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -214.869937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.869937 (E_RNA)
where:
Base-Base interactions energy: -141.053
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.004
local terms energy: -73.813070
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -21.262
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -208.809744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.809744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.809744 (E_RNA)
where:
Base-Base interactions energy: -133.397
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.255
local terms energy: -75.157290
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -198.274171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.274171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.274171 (E_RNA)
where:
Base-Base interactions energy: -124.900
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.806
local terms energy: -72.568802
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -203.166333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166333 (E_RNA)
where:
Base-Base interactions energy: -125.642
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.038
local terms energy: -77.486982
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -174.532318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.532318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.532318 (E_RNA)
where:
Base-Base interactions energy: -121.242
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.563
local terms energy: -52.726604
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -8.685
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: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -89.434310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.434310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.434310 (E_RNA)
where:
Base-Base interactions energy: -29.774
where: short stacking energy: -28.825
Base-Backbone interact. energy: -0.095
local terms energy: -59.566175
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -80.268575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268575 (E_RNA)
where:
Base-Base interactions energy: -24.557
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.649
local terms energy: -55.062151
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: 1.170
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: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -83.677434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677434 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -27.800
Base-Backbone interact. energy: -0.041
local terms energy: -49.716679
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -6.175
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -69.197336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.197336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.197336 (E_RNA)
where:
Base-Base interactions energy: -13.460
where: short stacking energy: -12.220
Base-Backbone interact. energy: -0.365
local terms energy: -55.372161
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -74.908921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.908921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.908921 (E_RNA)
where:
Base-Base interactions energy: -19.389
where: short stacking energy: -19.389
Base-Backbone interact. energy: -0.152
local terms energy: -55.368381
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -213.167431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167431 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -68.531
Base-Backbone interact. energy: 0.524
local terms energy: -78.126268
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -19.689
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -208.705611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.705611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.705611 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.079
local terms energy: -80.141695
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -204.071532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.071532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.071532 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.552
local terms energy: -70.658875
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.052
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -197.440514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440514 (E_RNA)
where:
Base-Base interactions energy: -128.075
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.744
local terms energy: -68.621329
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -10.128
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: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -159.645774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.645774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.645774 (E_RNA)
where:
Base-Base interactions energy: -96.392
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.146
local terms energy: -63.107625
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -97.644189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.644189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.644189 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -34.978
Base-Backbone interact. energy: -0.079
local terms energy: -56.125908
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -89.926178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926178 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.132
local terms energy: -44.599598
where:
bonds (distance) C4'-P energy: -4.548
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -73.033253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.033253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.033253 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -19.906
Base-Backbone interact. energy: 0.594
local terms energy: -48.723380
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -76.922113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.922113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.922113 (E_RNA)
where:
Base-Base interactions energy: -26.252
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.136
local terms energy: -50.533440
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -78.942795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.942795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.942795 (E_RNA)
where:
Base-Base interactions energy: -37.920
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.241
local terms energy: -40.781836
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -7.304
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: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -215.461633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.461633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.461633 (E_RNA)
where:
Base-Base interactions energy: -137.677
where: short stacking energy: -70.873
Base-Backbone interact. energy: 0.181
local terms energy: -77.965957
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -202.723913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.723913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.723913 (E_RNA)
where:
Base-Base interactions energy: -121.138
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.161
local terms energy: -81.425046
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -205.608977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608977 (E_RNA)
where:
Base-Base interactions energy: -122.769
where: short stacking energy: -64.205
Base-Backbone interact. energy: 0.311
local terms energy: -83.150536
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -195.879312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.879312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.879312 (E_RNA)
where:
Base-Base interactions energy: -125.446
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.096
local terms energy: -70.337214
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -144.558630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.558630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.558630 (E_RNA)
where:
Base-Base interactions energy: -80.985
where: short stacking energy: -45.324
Base-Backbone interact. energy: 0.114
local terms energy: -63.687682
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -82.490127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.490127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.490127 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.088
local terms energy: -50.515323
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -6.937
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.695
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: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -84.127566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127566 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.033
local terms energy: -43.106979
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -78.649819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.649819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.649819 (E_RNA)
where:
Base-Base interactions energy: -24.539
where: short stacking energy: -24.539
Base-Backbone interact. energy: 0.916
local terms energy: -55.026147
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -97.123335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.123335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.123335 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.132
local terms energy: -53.786458
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -7.934
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: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -76.109536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.109536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.109536 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -13.111
Base-Backbone interact. energy: -0.006
local terms energy: -42.355796
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -9.124
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: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -203.312393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.312393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.312393 (E_RNA)
where:
Base-Base interactions energy: -131.491
where: short stacking energy: -59.578
Base-Backbone interact. energy: 0.261
local terms energy: -72.082143
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -204.579149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.579149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.579149 (E_RNA)
where:
Base-Base interactions energy: -134.383
where: short stacking energy: -66.242
Base-Backbone interact. energy: 0.218
local terms energy: -70.414553
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -11.430
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: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -192.399443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.399443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.399443 (E_RNA)
where:
Base-Base interactions energy: -124.217
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.005
local terms energy: -68.177341
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -184.253367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.253367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253367 (E_RNA)
where:
Base-Base interactions energy: -117.697
where: short stacking energy: -55.464
Base-Backbone interact. energy: -0.004
local terms energy: -66.551746
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -136.637827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.637827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.637827 (E_RNA)
where:
Base-Base interactions energy: -81.784
where: short stacking energy: -42.698
Base-Backbone interact. energy: -0.100
local terms energy: -54.753355
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -92.375536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.375536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.375536 (E_RNA)
where:
Base-Base interactions energy: -29.226
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.370
local terms energy: -62.778835
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -97.959365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959365 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.029
local terms energy: -52.798692
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -92.910815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.910815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.910815 (E_RNA)
where:
Base-Base interactions energy: -38.852
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.159
local terms energy: -53.900153
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.998
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: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -82.472357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472357 (E_RNA)
where:
Base-Base interactions energy: -35.723
where: short stacking energy: -33.462
Base-Backbone interact. energy: 1.109
local terms energy: -47.858549
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -64.029578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.029578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.029578 (E_RNA)
where:
Base-Base interactions energy: -21.525
where: short stacking energy: -8.428
Base-Backbone interact. energy: -0.403
local terms energy: -42.101807
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -208.738433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.738433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738433 (E_RNA)
where:
Base-Base interactions energy: -130.844
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.858
local terms energy: -77.035926
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -17.621
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: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -203.146305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.146305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.146305 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -61.169
Base-Backbone interact. energy: -1.407
local terms energy: -76.061371
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -190.252521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.252521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.252521 (E_RNA)
where:
Base-Base interactions energy: -117.735
where: short stacking energy: -53.031
Base-Backbone interact. energy: -0.015
local terms energy: -72.502356
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -13.197
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: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -194.565444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565444 (E_RNA)
where:
Base-Base interactions energy: -123.047
where: short stacking energy: -60.308
Base-Backbone interact. energy: 1.470
local terms energy: -72.988184
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -16.841
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: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -146.687461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.687461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.687461 (E_RNA)
where:
Base-Base interactions energy: -82.710
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.087
local terms energy: -63.890767
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -11.396
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: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -94.383587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383587 (E_RNA)
where:
Base-Base interactions energy: -33.873
where: short stacking energy: -32.196
Base-Backbone interact. energy: -0.190
local terms energy: -60.319768
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -7.789
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -88.417201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417201 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -18.750
Base-Backbone interact. energy: 0.241
local terms energy: -55.383740
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -94.213142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213142 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -26.858
Base-Backbone interact. energy: -0.428
local terms energy: -51.980377
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -76.530378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.530378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.530378 (E_RNA)
where:
Base-Base interactions energy: -19.227
where: short stacking energy: -18.540
Base-Backbone interact. energy: -0.003
local terms energy: -57.299935
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -82.670293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670293 (E_RNA)
where:
Base-Base interactions energy: -38.547
where: short stacking energy: -21.961
Base-Backbone interact. energy: -0.059
local terms energy: -44.064587
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -7.406
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -208.066184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066184 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.025
local terms energy: -74.291799
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -202.501895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.501895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.501895 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.337
local terms energy: -75.449370
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -6.122
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: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -203.527027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.527027 (E_RNA)
where:
Base-Base interactions energy: -137.592
where: short stacking energy: -72.629
Base-Backbone interact. energy: -0.485
local terms energy: -65.450608
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.709
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: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -186.293513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.293513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.293513 (E_RNA)
where:
Base-Base interactions energy: -117.262
where: short stacking energy: -56.442
Base-Backbone interact. energy: -0.203
local terms energy: -68.828615
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -142.498716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.498716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.498716 (E_RNA)
where:
Base-Base interactions energy: -81.836
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.094
local terms energy: -60.568523
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -94.547567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.547567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.547567 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -40.533
Base-Backbone interact. energy: -0.076
local terms energy: -53.938415
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -134.492606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.492606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.492606 (E_RNA)
where:
Base-Base interactions energy: -75.173
where: short stacking energy: -36.748
Base-Backbone interact. energy: 0.292
local terms energy: -59.612147
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -9.502
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: 362
Temperature: 1.250000
Total energy: -80.709820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.709820 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.095
local terms energy: -44.261588
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -99.291382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.291382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.291382 (E_RNA)
where:
Base-Base interactions energy: -55.305
where: short stacking energy: -20.146
Base-Backbone interact. energy: 0.284
local terms energy: -44.270741
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: 2.469
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.965515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.965515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.965515 (E_RNA)
where:
Base-Base interactions energy: -30.278
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.057
local terms energy: -47.629606
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -215.318759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.318759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.318759 (E_RNA)
where:
Base-Base interactions energy: -146.020
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.013
local terms energy: -69.285915
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -205.833967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.833967 (E_RNA)
where:
Base-Base interactions energy: -131.813
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.013
local terms energy: -74.007818
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.391
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: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -202.263901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.263901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.263901 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.034
local terms energy: -70.907084
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -20.412
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: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -178.457878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.457878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457878 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -47.745
Base-Backbone interact. energy: -0.292
local terms energy: -62.090214
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -158.587240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.587240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.587240 (E_RNA)
where:
Base-Base interactions energy: -97.669
where: short stacking energy: -38.557
Base-Backbone interact. energy: -0.807
local terms energy: -60.110856
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -137.224043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.224043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.224043 (E_RNA)
where:
Base-Base interactions energy: -88.640
where: short stacking energy: -48.494
Base-Backbone interact. energy: 0.074
local terms energy: -48.657701
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -1.436
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -83.552403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.552403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.552403 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -27.607
Base-Backbone interact. energy: -0.250
local terms energy: -55.037711
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -83.441879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.441879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.441879 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -25.919
Base-Backbone interact. energy: 0.884
local terms energy: -58.406661
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -80.922275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922275 (E_RNA)
where:
Base-Base interactions energy: -24.252
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.218
local terms energy: -56.451736
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -72.646952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.646952 (E_RNA)
where:
Base-Base interactions energy: -15.654
where: short stacking energy: -15.654
Base-Backbone interact. energy: -0.102
local terms energy: -56.890743
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -6.788
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: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -208.361381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.361381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.361381 (E_RNA)
where:
Base-Base interactions energy: -128.073
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.011
local terms energy: -80.277478
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -204.737278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.737278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.737278 (E_RNA)
where:
Base-Base interactions energy: -127.365
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.110
local terms energy: -77.262459
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -205.447986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.447986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.447986 (E_RNA)
where:
Base-Base interactions energy: -131.120
where: short stacking energy: -63.219
Base-Backbone interact. energy: 2.110
local terms energy: -76.438003
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -188.418195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.418195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.418195 (E_RNA)
where:
Base-Base interactions energy: -118.135
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.280
local terms energy: -70.003398
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -140.798524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.798524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.798524 (E_RNA)
where:
Base-Base interactions energy: -79.168
where: short stacking energy: -35.162
Base-Backbone interact. energy: -0.067
local terms energy: -61.563667
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -8.119
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -139.942238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.942238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.942238 (E_RNA)
where:
Base-Base interactions energy: -80.093
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.181
local terms energy: -59.667611
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.588
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: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -84.622740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.622740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.622740 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.059
local terms energy: -53.932815
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -84.427084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427084 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.275
local terms energy: -47.993253
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -84.833617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833617 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -28.725
Base-Backbone interact. energy: -0.150
local terms energy: -52.504587
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.445826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445826 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.118
local terms energy: -53.298550
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -216.449886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449886 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.025
local terms energy: -74.927788
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -197.468703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.468703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.468703 (E_RNA)
where:
Base-Base interactions energy: -122.639
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.001
local terms energy: -74.828752
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -18.836
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: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -208.212779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.212779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.212779 (E_RNA)
where:
Base-Base interactions energy: -134.805
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.735
local terms energy: -72.673083
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -19.287
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: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -145.004648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.004648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.004648 (E_RNA)
where:
Base-Base interactions energy: -73.859
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.588
local terms energy: -70.558119
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -182.723527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.723527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.723527 (E_RNA)
where:
Base-Base interactions energy: -118.854
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.143
local terms energy: -63.726694
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -16.024
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -142.169375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.169375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.169375 (E_RNA)
where:
Base-Base interactions energy: -82.020
where: short stacking energy: -45.849
Base-Backbone interact. energy: -0.608
local terms energy: -59.541220
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -11.142
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: 365
Temperature: 1.200000
Total energy: -86.471137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.471137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.471137 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -23.736
Base-Backbone interact. energy: 1.373
local terms energy: -47.409878
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -2.394
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: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -84.929682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.929682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.929682 (E_RNA)
where:
Base-Base interactions energy: -31.216
where: short stacking energy: -29.050
Base-Backbone interact. energy: -0.248
local terms energy: -53.465479
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -78.716598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.716598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.716598 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -30.703
Base-Backbone interact. energy: 1.933
local terms energy: -49.946719
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -1.721
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: 365
Temperature: 1.350000
Total energy: -77.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.380440 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.204
local terms energy: -49.701232
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -10.750
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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -208.816667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.816667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.816667 (E_RNA)
where:
Base-Base interactions energy: -136.435
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.012
local terms energy: -72.369687
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -193.536018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.536018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.536018 (E_RNA)
where:
Base-Base interactions energy: -121.925
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.012
local terms energy: -71.599868
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.605
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: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -201.921544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.921544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.921544 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.017
local terms energy: -73.741405
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -150.556285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.556285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.556285 (E_RNA)
where:
Base-Base interactions energy: -86.967
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.338
local terms energy: -63.251679
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -140.758248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.758248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.758248 (E_RNA)
where:
Base-Base interactions energy: -78.291
where: short stacking energy: -42.690
Base-Backbone interact. energy: -0.110
local terms energy: -62.356796
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -163.619630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.619630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.619630 (E_RNA)
where:
Base-Base interactions energy: -96.642
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.065
local terms energy: -66.912785
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -10.231
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -81.309922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.309922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.309922 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.166
local terms energy: -52.876596
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -76.236952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236952 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.432
local terms energy: -45.110265
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -71.478859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.478859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.478859 (E_RNA)
where:
Base-Base interactions energy: -19.095
where: short stacking energy: -17.664
Base-Backbone interact. energy: -0.210
local terms energy: -52.173337
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -2.247
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: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -74.276504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.276504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.276504 (E_RNA)
where:
Base-Base interactions energy: -27.738
where: short stacking energy: -26.635
Base-Backbone interact. energy: -0.202
local terms energy: -46.336263
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -208.131494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.131494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.131494 (E_RNA)
where:
Base-Base interactions energy: -139.248
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.002
local terms energy: -68.881702
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -19.198
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: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -196.920213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.920213 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.057
local terms energy: -76.649293
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.388
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: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -201.733783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.733783 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -61.073
Base-Backbone interact. energy: -0.371
local terms energy: -71.456103
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -150.630436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.630436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.630436 (E_RNA)
where:
Base-Base interactions energy: -78.444
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.115
local terms energy: -72.071081
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -10.937
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: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -139.548603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.548603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.548603 (E_RNA)
where:
Base-Base interactions energy: -82.382
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.131
local terms energy: -57.036003
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -143.876734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.876734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.876734 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -31.001
Base-Backbone interact. energy: 2.469
local terms energy: -52.894893
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -96.349762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349762 (E_RNA)
where:
Base-Base interactions energy: -42.300
where: short stacking energy: -27.351
Base-Backbone interact. energy: -0.240
local terms energy: -53.810523
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -4.194
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: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -93.781176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.781176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.781176 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -36.701
Base-Backbone interact. energy: -0.159
local terms energy: -51.598029
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -8.698
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -77.854163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.854163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.854163 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -22.898
Base-Backbone interact. energy: -0.039
local terms energy: -49.071046
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -68.064660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.064660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.064660 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -25.234
Base-Backbone interact. energy: 0.512
local terms energy: -39.695937
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -9.853
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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -216.005532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.005532 (E_RNA)
where:
Base-Base interactions energy: -139.994
where: short stacking energy: -63.803
Base-Backbone interact. energy: 0.247
local terms energy: -76.258204
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -205.084389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.084389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.084389 (E_RNA)
where:
Base-Base interactions energy: -127.346
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.087
local terms energy: -77.651031
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -204.631151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.631151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.631151 (E_RNA)
where:
Base-Base interactions energy: -129.418
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.000
local terms energy: -75.212542
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -144.185696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.185696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.185696 (E_RNA)
where:
Base-Base interactions energy: -84.382
where: short stacking energy: -43.769
Base-Backbone interact. energy: -0.181
local terms energy: -59.622496
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -170.074901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.074901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.074901 (E_RNA)
where:
Base-Base interactions energy: -109.049
where: short stacking energy: -51.586
Base-Backbone interact. energy: 0.001
local terms energy: -61.027393
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -144.601143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.601143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.601143 (E_RNA)
where:
Base-Base interactions energy: -86.641
where: short stacking energy: -36.045
Base-Backbone interact. energy: 0.062
local terms energy: -58.022469
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -99.356382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356382 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -27.848
Base-Backbone interact. energy: -0.272
local terms energy: -67.433314
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -83.919907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.919907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.919907 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.003
local terms energy: -52.097289
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -70.548203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.548203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.548203 (E_RNA)
where:
Base-Base interactions energy: -20.878
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.100
local terms energy: -49.570388
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -0.452
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: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -77.950947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.950947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.950947 (E_RNA)
where:
Base-Base interactions energy: -23.420
where: short stacking energy: -21.069
Base-Backbone interact. energy: -0.064
local terms energy: -54.467028
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -211.596158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.596158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.596158 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.007
local terms energy: -68.556734
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -203.658617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.658617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.658617 (E_RNA)
where:
Base-Base interactions energy: -128.801
where: short stacking energy: -54.943
Base-Backbone interact. energy: -0.084
local terms energy: -74.773516
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -192.165333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.165333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.165333 (E_RNA)
where:
Base-Base interactions energy: -122.929
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.464
local terms energy: -68.772089
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.356
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -182.971818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.971818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.971818 (E_RNA)
where:
Base-Base interactions energy: -116.873
where: short stacking energy: -48.433
Base-Backbone interact. energy: -0.170
local terms energy: -65.928779
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.128
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: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -153.387329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.387329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.387329 (E_RNA)
where:
Base-Base interactions energy: -87.977
where: short stacking energy: -49.130
Base-Backbone interact. energy: -0.369
local terms energy: -65.041442
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -12.070
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: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -94.212941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.212941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.212941 (E_RNA)
where:
Base-Base interactions energy: -39.558
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.238
local terms energy: -54.417249
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -5.811
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -139.751284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.751284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.751284 (E_RNA)
where:
Base-Base interactions energy: -83.533
where: short stacking energy: -41.074
Base-Backbone interact. energy: -0.243
local terms energy: -55.975741
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.594874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594874 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -25.353
Base-Backbone interact. energy: 0.529
local terms energy: -53.406879
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -72.547379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.547379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.547379 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -21.941
Base-Backbone interact. energy: -0.098
local terms energy: -43.865491
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -71.999665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.999665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.999665 (E_RNA)
where:
Base-Base interactions energy: -20.764
where: short stacking energy: -20.764
Base-Backbone interact. energy: -0.041
local terms energy: -51.195482
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -2.514
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: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -203.617875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.617875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617875 (E_RNA)
where:
Base-Base interactions energy: -124.192
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.074
local terms energy: -79.352070
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -21.266
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: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -188.095665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.095665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.095665 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -59.278
Base-Backbone interact. energy: -1.330
local terms energy: -66.458378
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.708
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: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -198.141558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.141558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.141558 (E_RNA)
where:
Base-Base interactions energy: -130.188
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.805
local terms energy: -67.148056
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -187.497659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.497659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.497659 (E_RNA)
where:
Base-Base interactions energy: -121.329
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.463
local terms energy: -65.705504
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -135.424754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.424754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.424754 (E_RNA)
where:
Base-Base interactions energy: -79.326
where: short stacking energy: -39.810
Base-Backbone interact. energy: -0.243
local terms energy: -55.855674
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -6.828
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: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -89.518598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.518598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.518598 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -35.244
Base-Backbone interact. energy: -0.433
local terms energy: -47.559936
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: 0.449
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -90.479893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479893 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.120
local terms energy: -55.285120
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -76.559901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.559901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.559901 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.192
local terms energy: -48.579963
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -92.128776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128776 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -40.251
Base-Backbone interact. energy: 0.944
local terms energy: -52.611972
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -71.532202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.532202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.532202 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -23.356
Base-Backbone interact. energy: 0.836
local terms energy: -40.102784
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -211.634072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.634072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.634072 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.324
local terms energy: -72.803679
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -210.016821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.016821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016821 (E_RNA)
where:
Base-Base interactions energy: -133.405
where: short stacking energy: -66.870
Base-Backbone interact. energy: 0.027
local terms energy: -76.638776
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -200.049478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.049478 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.035
local terms energy: -71.849842
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -19.059
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: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -181.386433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.386433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386433 (E_RNA)
where:
Base-Base interactions energy: -112.377
where: short stacking energy: -47.318
Base-Backbone interact. energy: 0.529
local terms energy: -69.538467
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -12.692
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: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -144.062503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.062503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.062503 (E_RNA)
where:
Base-Base interactions energy: -91.995
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.111
local terms energy: -51.956260
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -8.842
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -84.952559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.952559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.952559 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -31.215
Base-Backbone interact. energy: -1.377
local terms energy: -49.043576
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -87.559899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.559899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.559899 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -35.167
Base-Backbone interact. energy: 0.829
local terms energy: -48.113003
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.635
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: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -88.172505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172505 (E_RNA)
where:
Base-Base interactions energy: -33.041
where: short stacking energy: -32.305
Base-Backbone interact. energy: -0.018
local terms energy: -55.113551
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -10.527
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: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -70.422414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.422414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.422414 (E_RNA)
where:
Base-Base interactions energy: -30.275
where: short stacking energy: -16.507
Base-Backbone interact. energy: -0.100
local terms energy: -40.047852
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -6.207
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 0.341
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: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -69.436288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.436288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.436288 (E_RNA)
where:
Base-Base interactions energy: -23.435
where: short stacking energy: -12.495
Base-Backbone interact. energy: -0.163
local terms energy: -45.837905
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.879
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: 372
Temperature: 0.900000
Total energy: -208.429029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429029 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.671
local terms energy: -78.342231
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -195.794654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.794654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.794654 (E_RNA)
where:
Base-Base interactions energy: -120.608
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.654
local terms energy: -74.532786
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -206.720597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.720597 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.845
local terms energy: -72.395732
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -201.025526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.025526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.025526 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.268
local terms energy: -72.272956
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -16.376
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -143.826237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.826237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.826237 (E_RNA)
where:
Base-Base interactions energy: -81.201
where: short stacking energy: -37.853
Base-Backbone interact. energy: -0.114
local terms energy: -62.511654
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -13.810
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: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -100.201217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.201217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.201217 (E_RNA)
where:
Base-Base interactions energy: -39.849
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.093
local terms energy: -60.259557
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -90.233115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.233115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.233115 (E_RNA)
where:
Base-Base interactions energy: -39.587
where: short stacking energy: -21.142
Base-Backbone interact. energy: -0.683
local terms energy: -49.963476
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -97.227762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.227762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.227762 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.647
local terms energy: -53.508058
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -86.341156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.341156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.341156 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -14.025
Base-Backbone interact. energy: -0.391
local terms energy: -51.849049
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -71.890614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.890614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.890614 (E_RNA)
where:
Base-Base interactions energy: -20.107
where: short stacking energy: -19.749
Base-Backbone interact. energy: -0.027
local terms energy: -51.756822
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -214.571314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.571314 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.116
local terms energy: -80.749996
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.372
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: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -205.410958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.410958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410958 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.288
local terms energy: -77.375793
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.320
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -205.607599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.607599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.607599 (E_RNA)
where:
Base-Base interactions energy: -128.420
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.015
local terms energy: -77.172853
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -19.860
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: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -196.954792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.954792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954792 (E_RNA)
where:
Base-Base interactions energy: -121.183
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.093
local terms energy: -75.679039
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.237
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: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -143.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.910535 (E_RNA)
where:
Base-Base interactions energy: -86.330
where: short stacking energy: -43.168
Base-Backbone interact. energy: 0.027
local terms energy: -57.606991
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -5.236
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: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -92.123638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.123638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.123638 (E_RNA)
where:
Base-Base interactions energy: -46.476
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.901
local terms energy: -44.746518
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -0.315
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -87.485285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.485285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.485285 (E_RNA)
where:
Base-Base interactions energy: -32.432
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.064
local terms energy: -54.989634
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -8.717
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: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -91.974806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.974806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.974806 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.115
local terms energy: -49.276043
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -3.817
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -75.170310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.170310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.170310 (E_RNA)
where:
Base-Base interactions energy: -28.240
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.082
local terms energy: -46.847701
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -78.741754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741754 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -18.500
Base-Backbone interact. energy: -1.718
local terms energy: -40.790760
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -208.788509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.788509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.788509 (E_RNA)
where:
Base-Base interactions energy: -128.564
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.789
local terms energy: -79.435577
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -201.646424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.646424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.646424 (E_RNA)
where:
Base-Base interactions energy: -123.160
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.156
local terms energy: -78.330499
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -195.253868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.253868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.253868 (E_RNA)
where:
Base-Base interactions energy: -116.414
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.080
local terms energy: -78.759216
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -191.144235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.144235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.144235 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.387
local terms energy: -66.837299
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -161.794565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.794565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.794565 (E_RNA)
where:
Base-Base interactions energy: -101.251
where: short stacking energy: -49.421
Base-Backbone interact. energy: 0.241
local terms energy: -60.784862
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -88.906321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.906321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.906321 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.126
local terms energy: -51.992035
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -84.681274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.681274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.681274 (E_RNA)
where:
Base-Base interactions energy: -30.867
where: short stacking energy: -28.882
Base-Backbone interact. energy: -0.070
local terms energy: -53.744281
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -83.883816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883816 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -28.581
Base-Backbone interact. energy: 0.804
local terms energy: -48.823297
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -6.976
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: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -77.851728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.851728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.851728 (E_RNA)
where:
Base-Base interactions energy: -23.732
where: short stacking energy: -19.121
Base-Backbone interact. energy: -0.191
local terms energy: -53.929064
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -87.609478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.609478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.609478 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.123
local terms energy: -49.241544
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -211.711873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.711873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.711873 (E_RNA)
where:
Base-Base interactions energy: -131.331
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.100
local terms energy: -80.280471
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -193.495710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.495710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.495710 (E_RNA)
where:
Base-Base interactions energy: -126.431
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.009
local terms energy: -67.055387
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -12.389
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: 375
Temperature: 1.000000
Total energy: -195.939057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.939057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.939057 (E_RNA)
where:
Base-Base interactions energy: -120.301
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.000
local terms energy: -75.637463
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -148.140329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.140329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.140329 (E_RNA)
where:
Base-Base interactions energy: -92.637
where: short stacking energy: -47.306
Base-Backbone interact. energy: 2.092
local terms energy: -57.595155
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -7.187
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: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -192.958461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958461 (E_RNA)
where:
Base-Base interactions energy: -113.274
where: short stacking energy: -54.552
Base-Backbone interact. energy: -0.002
local terms energy: -79.683159
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -12.108
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: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -93.169499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.169499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.169499 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.238
local terms energy: -55.990513
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -10.497
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: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -82.621705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621705 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.319
local terms energy: -53.896688
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -77.902261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.902261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.902261 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.585
local terms energy: -45.583043
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.506504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506504 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.109
local terms energy: -52.140683
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -5.718
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: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -78.563733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.563733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.563733 (E_RNA)
where:
Base-Base interactions energy: -29.719
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.022
local terms energy: -48.821961
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -6.490
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -208.104933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.104933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.104933 (E_RNA)
where:
Base-Base interactions energy: -131.349
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.112
local terms energy: -76.644706
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -200.982279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.982279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.982279 (E_RNA)
where:
Base-Base interactions energy: -126.937
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.222
local terms energy: -73.824125
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -194.990998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.990998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.990998 (E_RNA)
where:
Base-Base interactions energy: -129.535
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.042
local terms energy: -65.414191
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -145.936040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.936040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.936040 (E_RNA)
where:
Base-Base interactions energy: -83.818
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.175
local terms energy: -61.942695
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.714
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: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -189.984207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.984207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.984207 (E_RNA)
where:
Base-Base interactions energy: -111.021
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.022
local terms energy: -78.940763
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -85.319116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319116 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.061
local terms energy: -57.489414
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -5.407
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: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -90.839197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.839197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.839197 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -21.650
Base-Backbone interact. energy: -1.486
local terms energy: -46.100415
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -76.875703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875703 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -23.943
Base-Backbone interact. energy: 0.068
local terms energy: -43.514633
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -75.974093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974093 (E_RNA)
where:
Base-Base interactions energy: -26.378
where: short stacking energy: -20.009
Base-Backbone interact. energy: 0.295
local terms energy: -49.891220
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -0.812
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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -71.230067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.230067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.230067 (E_RNA)
where:
Base-Base interactions energy: -24.563
where: short stacking energy: -22.236
Base-Backbone interact. energy: -0.038
local terms energy: -46.629028
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -208.721280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.721280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.721280 (E_RNA)
where:
Base-Base interactions energy: -129.428
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.574
local terms energy: -78.719947
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -205.055700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.055700 (E_RNA)
where:
Base-Base interactions energy: -126.152
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.003
local terms energy: -78.900196
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -202.675115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.675115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.675115 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.688
local terms energy: -69.813600
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -192.923808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.923808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.923808 (E_RNA)
where:
Base-Base interactions energy: -117.655
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.111
local terms energy: -75.157378
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.291
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: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -155.504785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504785 (E_RNA)
where:
Base-Base interactions energy: -95.174
where: short stacking energy: -52.576
Base-Backbone interact. energy: -0.098
local terms energy: -60.232257
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -114.735567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.735567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.735567 (E_RNA)
where:
Base-Base interactions energy: -60.037
where: short stacking energy: -36.663
Base-Backbone interact. energy: -0.317
local terms energy: -54.382013
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -9.215
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -86.127244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.127244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.127244 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.700
local terms energy: -51.257454
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -87.926950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.926950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.926950 (E_RNA)
where:
Base-Base interactions energy: -44.844
where: short stacking energy: -29.997
Base-Backbone interact. energy: 0.312
local terms energy: -43.395200
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -78.858852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858852 (E_RNA)
where:
Base-Base interactions energy: -22.268
where: short stacking energy: -16.673
Base-Backbone interact. energy: -0.005
local terms energy: -56.585418
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -3.349
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: 377
Temperature: 1.350000
Total energy: -70.852479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.852479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.852479 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -26.505
Base-Backbone interact. energy: -0.154
local terms energy: -43.581047
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -2.162
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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -218.673563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673563 (E_RNA)
where:
Base-Base interactions energy: -150.072
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.037
local terms energy: -68.564176
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -17.453
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: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -200.328591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.328591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328591 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.556
local terms energy: -70.291587
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -196.991258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.991258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.991258 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.066
local terms energy: -66.071873
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -9.693
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: 378
Temperature: 1.050000
Total energy: -195.415288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.415288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.415288 (E_RNA)
where:
Base-Base interactions energy: -124.355
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.186
local terms energy: -70.874482
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -159.578023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.578023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.578023 (E_RNA)
where:
Base-Base interactions energy: -95.221
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.405
local terms energy: -63.952498
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -13.115
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: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -95.236441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.236441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.236441 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.083
local terms energy: -63.720232
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -86.202894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.202894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.202894 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -24.749
Base-Backbone interact. energy: -0.062
local terms energy: -60.525915
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -7.553
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: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -84.814696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814696 (E_RNA)
where:
Base-Base interactions energy: -43.824
where: short stacking energy: -21.792
Base-Backbone interact. energy: -0.235
local terms energy: -40.756191
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.241218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241218 (E_RNA)
where:
Base-Base interactions energy: -33.742
where: short stacking energy: -30.187
Base-Backbone interact. energy: 0.407
local terms energy: -53.906264
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -65.994984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.994984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.994984 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -9.212
Base-Backbone interact. energy: 0.939
local terms energy: -43.285769
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: 5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -205.054107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054107 (E_RNA)
where:
Base-Base interactions energy: -126.817
where: short stacking energy: -61.801
Base-Backbone interact. energy: -0.799
local terms energy: -77.437853
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.160
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: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -203.018868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.018868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.018868 (E_RNA)
where:
Base-Base interactions energy: -124.824
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.003
local terms energy: -78.191254
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -198.281094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.281094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281094 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -48.170
Base-Backbone interact. energy: -0.054
local terms energy: -69.764402
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -13.137
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -188.183043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.183043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.183043 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.205
local terms energy: -70.989260
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -154.084701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.084701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.084701 (E_RNA)
where:
Base-Base interactions energy: -88.343
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.196
local terms energy: -65.545496
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -94.302073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302073 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.854
local terms energy: -59.730539
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -85.925400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925400 (E_RNA)
where:
Base-Base interactions energy: -37.144
where: short stacking energy: -26.533
Base-Backbone interact. energy: 1.610
local terms energy: -50.391815
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.722
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: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -82.273924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.273924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.273924 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -22.535
Base-Backbone interact. energy: -1.191
local terms energy: -47.382140
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: 3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -92.925625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925625 (E_RNA)
where:
Base-Base interactions energy: -47.338
where: short stacking energy: -23.480
Base-Backbone interact. energy: 2.185
local terms energy: -47.772287
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -7.791
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: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -83.194348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194348 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.153
local terms energy: -52.413490
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -3.226
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: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -210.263760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263760 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.018
local terms energy: -78.530031
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -12.062
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -209.484190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484190 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.143
local terms energy: -79.706597
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -183.488094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.488094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.488094 (E_RNA)
where:
Base-Base interactions energy: -111.453
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.107
local terms energy: -71.928272
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.973
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: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -197.952495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.952495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.952495 (E_RNA)
where:
Base-Base interactions energy: -124.670
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.253
local terms energy: -73.029382
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -164.750425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.750425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.750425 (E_RNA)
where:
Base-Base interactions energy: -97.585
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.777
local terms energy: -66.389217
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.622
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: 6, replica: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -92.472300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.472300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.472300 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -34.031
Base-Backbone interact. energy: -0.092
local terms energy: -58.349641
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -3.183
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: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -103.187776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.187776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.187776 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -21.731
Base-Backbone interact. energy: -2.492
local terms energy: -54.137678
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -79.571557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571557 (E_RNA)
where:
Base-Base interactions energy: -30.492
where: short stacking energy: -23.013
Base-Backbone interact. energy: 3.597
local terms energy: -52.675905
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -79.100130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.100130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.100130 (E_RNA)
where:
Base-Base interactions energy: -28.786
where: short stacking energy: -28.786
Base-Backbone interact. energy: -0.026
local terms energy: -50.288129
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -7.752
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: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -76.255423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255423 (E_RNA)
where:
Base-Base interactions energy: -22.719
where: short stacking energy: -22.719
Base-Backbone interact. energy: -0.176
local terms energy: -53.360439
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -210.813172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.813172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.813172 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -56.279
Base-Backbone interact. energy: -0.037
local terms energy: -79.153495
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -201.990331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990331 (E_RNA)
where:
Base-Base interactions energy: -136.245
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.108
local terms energy: -65.637288
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -200.639919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639919 (E_RNA)
where:
Base-Base interactions energy: -124.831
where: short stacking energy: -62.119
Base-Backbone interact. energy: 0.209
local terms energy: -76.017706
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -165.117568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.117568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.117568 (E_RNA)
where:
Base-Base interactions energy: -93.898
where: short stacking energy: -54.028
Base-Backbone interact. energy: -0.084
local terms energy: -71.135015
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.906
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: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -185.578775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.578775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.578775 (E_RNA)
where:
Base-Base interactions energy: -107.385
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.104
local terms energy: -78.089064
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -20.036
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: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -87.079055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079055 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.169
local terms energy: -50.596001
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -85.224353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224353 (E_RNA)
where:
Base-Base interactions energy: -29.935
where: short stacking energy: -29.935
Base-Backbone interact. energy: 0.800
local terms energy: -56.089754
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -8.870
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: 381
Temperature: 1.250000
Total energy: -95.387020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.387020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.387020 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -26.859
Base-Backbone interact. energy: -0.071
local terms energy: -57.629192
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -9.258
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: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -80.910509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.910509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.910509 (E_RNA)
where:
Base-Base interactions energy: -25.642
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.023
local terms energy: -55.245504
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -9.901
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: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -68.447121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.447121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.447121 (E_RNA)
where:
Base-Base interactions energy: -26.821
where: short stacking energy: -18.655
Base-Backbone interact. energy: -0.129
local terms energy: -41.496614
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -0.862
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -199.211554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.211554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.211554 (E_RNA)
where:
Base-Base interactions energy: -123.500
where: short stacking energy: -59.112
Base-Backbone interact. energy: -0.991
local terms energy: -74.720069
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -198.295060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.295060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.295060 (E_RNA)
where:
Base-Base interactions energy: -119.579
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.185
local terms energy: -78.531357
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.122
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: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -176.589622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.589622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.589622 (E_RNA)
where:
Base-Base interactions energy: -103.813
where: short stacking energy: -56.577
Base-Backbone interact. energy: -0.611
local terms energy: -72.165156
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -205.248562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.248562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.248562 (E_RNA)
where:
Base-Base interactions energy: -138.825
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.080
local terms energy: -66.343174
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -5.861
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: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -187.483796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.483796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.483796 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.108
local terms energy: -73.105306
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -82.876846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876846 (E_RNA)
where:
Base-Base interactions energy: -31.377
where: short stacking energy: -14.107
Base-Backbone interact. energy: 3.899
local terms energy: -55.398881
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -98.574130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.574130 (E_RNA)
where:
Base-Base interactions energy: -38.773
where: short stacking energy: -38.364
Base-Backbone interact. energy: -0.118
local terms energy: -59.683338
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.002
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: 382
Temperature: 1.250000
Total energy: -80.587607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587607 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.060
local terms energy: -52.459484
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -76.060985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.060985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.060985 (E_RNA)
where:
Base-Base interactions energy: -22.421
where: short stacking energy: -22.421
Base-Backbone interact. energy: -0.016
local terms energy: -53.623831
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -8.102
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -75.244062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.244062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.244062 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -13.261
Base-Backbone interact. energy: 0.113
local terms energy: -42.562804
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -5.839
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -205.219946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219946 (E_RNA)
where:
Base-Base interactions energy: -129.006
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.002
local terms energy: -76.212543
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.501
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -205.003423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.003423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.003423 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.148
local terms energy: -73.807331
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -155.570055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.570055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.570055 (E_RNA)
where:
Base-Base interactions energy: -91.958
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.598
local terms energy: -63.013824
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -195.926899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.926899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.926899 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.459
local terms energy: -79.895125
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -10.360
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -187.397526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.397526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.397526 (E_RNA)
where:
Base-Base interactions energy: -114.689
where: short stacking energy: -56.714
Base-Backbone interact. energy: -1.747
local terms energy: -70.962399
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -17.237
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: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -96.311858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311858 (E_RNA)
where:
Base-Base interactions energy: -42.658
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.113
local terms energy: -53.540800
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -3.499
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: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -95.675005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.675005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.675005 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -32.472
Base-Backbone interact. energy: 0.597
local terms energy: -48.761478
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -80.221176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221176 (E_RNA)
where:
Base-Base interactions energy: -25.790
where: short stacking energy: -25.790
Base-Backbone interact. energy: -0.402
local terms energy: -54.029052
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -81.904870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.904870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.904870 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.149
local terms energy: -54.925869
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -2.597
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: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -75.068534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.068534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.068534 (E_RNA)
where:
Base-Base interactions energy: -26.452
where: short stacking energy: -24.427
Base-Backbone interact. energy: 0.239
local terms energy: -48.855104
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -213.534780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.534780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534780 (E_RNA)
where:
Base-Base interactions energy: -133.869
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.028
local terms energy: -79.638034
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -200.225372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.225372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.225372 (E_RNA)
where:
Base-Base interactions energy: -130.234
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.723
local terms energy: -69.268735
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -188.917771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.917771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.917771 (E_RNA)
where:
Base-Base interactions energy: -110.471
where: short stacking energy: -48.738
Base-Backbone interact. energy: -0.560
local terms energy: -77.886901
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -158.983486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.983486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.983486 (E_RNA)
where:
Base-Base interactions energy: -90.647
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.165
local terms energy: -68.171102
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.118
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: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -189.374813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.374813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.374813 (E_RNA)
where:
Base-Base interactions energy: -124.569
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.364
local terms energy: -64.441894
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -1.648
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -82.886581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886581 (E_RNA)
where:
Base-Base interactions energy: -28.400
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.257
local terms energy: -54.229927
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -0.704
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: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -105.898097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.898097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.898097 (E_RNA)
where:
Base-Base interactions energy: -51.895
where: short stacking energy: -25.860
Base-Backbone interact. energy: 0.123
local terms energy: -54.125845
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.066
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: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -82.646751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646751 (E_RNA)
where:
Base-Base interactions energy: -27.806
where: short stacking energy: -19.108
Base-Backbone interact. energy: -0.702
local terms energy: -54.139018
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -90.330576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330576 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -21.945
Base-Backbone interact. energy: -0.157
local terms energy: -50.780254
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -74.976615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.976615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.976615 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -10.983
Base-Backbone interact. energy: -0.212
local terms energy: -42.324291
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -214.180362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.180362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.180362 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -68.887
Base-Backbone interact. energy: -1.007
local terms energy: -77.070658
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -198.432370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432370 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -58.630
Base-Backbone interact. energy: -0.678
local terms energy: -74.048617
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -188.503096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.503096 (E_RNA)
where:
Base-Base interactions energy: -117.030
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.651
local terms energy: -70.822266
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -12.580
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: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -196.285240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.285240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.285240 (E_RNA)
where:
Base-Base interactions energy: -121.350
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.005
local terms energy: -74.930589
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -7.681
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: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -151.101819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.101819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.101819 (E_RNA)
where:
Base-Base interactions energy: -90.483
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.033
local terms energy: -60.586064
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -10.383
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: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -85.915380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.915380 (E_RNA)
where:
Base-Base interactions energy: -29.967
where: short stacking energy: -21.399
Base-Backbone interact. energy: -0.309
local terms energy: -55.639773
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -82.995543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995543 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -39.348
Base-Backbone interact. energy: 0.846
local terms energy: -44.492739
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -2.535
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: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -82.179340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.179340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.179340 (E_RNA)
where:
Base-Base interactions energy: -33.273
where: short stacking energy: -30.507
Base-Backbone interact. energy: -0.122
local terms energy: -48.783426
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -85.452890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.452890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.452890 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -28.825
Base-Backbone interact. energy: -0.116
local terms energy: -50.758875
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -2.085
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: 385
Temperature: 1.350000
Total energy: -69.250697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.250697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.250697 (E_RNA)
where:
Base-Base interactions energy: -21.637
where: short stacking energy: -21.123
Base-Backbone interact. energy: -0.487
local terms energy: -47.126697
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -214.273380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.273380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.273380 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -63.323
Base-Backbone interact. energy: -0.620
local terms energy: -81.419859
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -21.337
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -196.605122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.605122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.605122 (E_RNA)
where:
Base-Base interactions energy: -124.131
where: short stacking energy: -63.197
Base-Backbone interact. energy: -0.023
local terms energy: -72.451788
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -12.313
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -200.945702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945702 (E_RNA)
where:
Base-Base interactions energy: -122.963
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.036
local terms energy: -77.946807
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.982
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: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -176.951259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.951259 (E_RNA)
where:
Base-Base interactions energy: -107.279
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.937
local terms energy: -68.734409
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -147.168730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.168730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.168730 (E_RNA)
where:
Base-Base interactions energy: -88.277
where: short stacking energy: -45.658
Base-Backbone interact. energy: -0.390
local terms energy: -58.501613
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -104.498926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.498926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.498926 (E_RNA)
where:
Base-Base interactions energy: -48.216
where: short stacking energy: -32.335
Base-Backbone interact. energy: -0.254
local terms energy: -56.029810
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -85.907054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.907054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.907054 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -27.975
Base-Backbone interact. energy: -0.037
local terms energy: -53.359060
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -2.298
tors. eta vs tors. theta energy: -12.457
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: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -88.743425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743425 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.567
local terms energy: -55.508863
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.744
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: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -70.790413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.790413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.790413 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -20.634
Base-Backbone interact. energy: 0.229
local terms energy: -41.368044
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -76.968233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.968233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.968233 (E_RNA)
where:
Base-Base interactions energy: -32.494
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.081
local terms energy: -44.392799
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -208.657469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.657469 (E_RNA)
where:
Base-Base interactions energy: -130.099
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.893
local terms energy: -77.665373
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -208.388672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.388672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.388672 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.120
local terms energy: -83.150964
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -202.648429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.648429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.648429 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.086
local terms energy: -79.095610
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -189.422595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.422595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.422595 (E_RNA)
where:
Base-Base interactions energy: -113.991
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.832
local terms energy: -74.599755
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -140.945530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.945530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.945530 (E_RNA)
where:
Base-Base interactions energy: -85.665
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.002
local terms energy: -55.277963
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -6.064
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: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -115.351402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.351402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.351402 (E_RNA)
where:
Base-Base interactions energy: -68.690
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.160
local terms energy: -46.501382
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -82.837048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.837048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.837048 (E_RNA)
where:
Base-Base interactions energy: -29.684
where: short stacking energy: -29.684
Base-Backbone interact. energy: 0.142
local terms energy: -53.295486
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -77.739219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.739219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.739219 (E_RNA)
where:
Base-Base interactions energy: -20.775
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.195
local terms energy: -56.769936
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: 1.431
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: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -81.416755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.416755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.416755 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -19.950
Base-Backbone interact. energy: -0.519
local terms energy: -46.315783
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -79.076633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076633 (E_RNA)
where:
Base-Base interactions energy: -23.500
where: short stacking energy: -15.398
Base-Backbone interact. energy: 1.305
local terms energy: -56.881063
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -211.961750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.961750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.961750 (E_RNA)
where:
Base-Base interactions energy: -130.236
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.003
local terms energy: -81.723088
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -197.239449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.239449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.239449 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.026
local terms energy: -67.827473
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.720
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: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -203.976662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.976662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.976662 (E_RNA)
where:
Base-Base interactions energy: -133.027
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.002
local terms energy: -70.947344
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -173.103538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.103538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.103538 (E_RNA)
where:
Base-Base interactions energy: -109.459
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.002
local terms energy: -63.641886
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -15.203
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: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -146.917752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.917752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.917752 (E_RNA)
where:
Base-Base interactions energy: -85.331
where: short stacking energy: -40.738
Base-Backbone interact. energy: -0.078
local terms energy: -61.509400
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -4.806
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: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -161.295973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.295973 (E_RNA)
where:
Base-Base interactions energy: -109.911
where: short stacking energy: -57.367
Base-Backbone interact. energy: 0.150
local terms energy: -51.535582
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -85.885346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885346 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -25.600
Base-Backbone interact. energy: 0.568
local terms energy: -52.797141
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: 2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -77.019530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019530 (E_RNA)
where:
Base-Base interactions energy: -25.292
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.012
local terms energy: -51.714845
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -10.899
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: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -81.456119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456119 (E_RNA)
where:
Base-Base interactions energy: -31.694
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.128
local terms energy: -49.634141
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -81.248503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.248503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.248503 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.219
local terms energy: -48.352632
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -8.577
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: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -214.528696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.528696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.528696 (E_RNA)
where:
Base-Base interactions energy: -135.292
where: short stacking energy: -65.093
Base-Backbone interact. energy: 0.102
local terms energy: -79.338609
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -201.831369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.831369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.831369 (E_RNA)
where:
Base-Base interactions energy: -131.095
where: short stacking energy: -62.388
Base-Backbone interact. energy: 1.150
local terms energy: -71.886829
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -201.980271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.980271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.980271 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.007
local terms energy: -67.460532
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -157.710071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.710071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.710071 (E_RNA)
where:
Base-Base interactions energy: -85.369
where: short stacking energy: -49.738
Base-Backbone interact. energy: -0.054
local terms energy: -72.287057
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -190.416698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.416698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.416698 (E_RNA)
where:
Base-Base interactions energy: -120.265
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.094
local terms energy: -70.057381
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -179.490332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.490332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.490332 (E_RNA)
where:
Base-Base interactions energy: -110.213
where: short stacking energy: -49.509
Base-Backbone interact. energy: 0.717
local terms energy: -69.994520
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.927
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: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -99.744542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.744542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.744542 (E_RNA)
where:
Base-Base interactions energy: -46.599
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.165
local terms energy: -52.980114
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -76.934658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.934658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.934658 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.121
local terms energy: -41.598970
where:
bonds (distance) C4'-P energy: -5.301
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.838
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: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -76.960518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.960518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.960518 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -28.231
Base-Backbone interact. energy: -0.131
local terms energy: -48.375950
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -78.892949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892949 (E_RNA)
where:
Base-Base interactions energy: -26.888
where: short stacking energy: -24.582
Base-Backbone interact. energy: -0.869
local terms energy: -51.136640
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -11.197
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: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -215.340031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.340031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.340031 (E_RNA)
where:
Base-Base interactions energy: -134.823
where: short stacking energy: -67.447
Base-Backbone interact. energy: 0.292
local terms energy: -80.808898
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -12.189
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: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -209.795707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.795707 (E_RNA)
where:
Base-Base interactions energy: -133.464
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.169
local terms energy: -76.161959
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -196.008877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.008877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.008877 (E_RNA)
where:
Base-Base interactions energy: -125.629
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.645
local terms energy: -69.734306
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -159.476644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.476644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.476644 (E_RNA)
where:
Base-Base interactions energy: -94.995
where: short stacking energy: -53.554
Base-Backbone interact. energy: 0.416
local terms energy: -64.897467
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.712
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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -168.472229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.472229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.472229 (E_RNA)
where:
Base-Base interactions energy: -100.691
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.280
local terms energy: -67.500925
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -12.613
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -184.574575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.574575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.574575 (E_RNA)
where:
Base-Base interactions energy: -115.541
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.004
local terms energy: -69.029144
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -12.041
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -108.990365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.990365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.990365 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.060
local terms energy: -67.796205
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.124
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: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -78.784462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.784462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.784462 (E_RNA)
where:
Base-Base interactions energy: -21.408
where: short stacking energy: -21.408
Base-Backbone interact. energy: 0.437
local terms energy: -57.813392
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -76.609994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.609994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.609994 (E_RNA)
where:
Base-Base interactions energy: -24.368
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.048
local terms energy: -52.193925
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.293472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.293472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.293472 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -33.151
Base-Backbone interact. energy: -0.000
local terms energy: -52.142482
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -13.190
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: 391
Temperature: 0.900000
Total energy: -204.675600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.675600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.675600 (E_RNA)
where:
Base-Base interactions energy: -125.472
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.014
local terms energy: -79.189610
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -205.693013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.693013 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -66.175
Base-Backbone interact. energy: -1.180
local terms energy: -76.343399
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -194.057436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057436 (E_RNA)
where:
Base-Base interactions energy: -124.537
where: short stacking energy: -59.336
Base-Backbone interact. energy: -0.017
local terms energy: -69.503569
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -156.388044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.388044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.388044 (E_RNA)
where:
Base-Base interactions energy: -85.378
where: short stacking energy: -40.136
Base-Backbone interact. energy: -0.155
local terms energy: -70.855107
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -11.373
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: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -149.183566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.183566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.183566 (E_RNA)
where:
Base-Base interactions energy: -85.885
where: short stacking energy: -46.121
Base-Backbone interact. energy: 1.376
local terms energy: -64.674703
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -7.682
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -184.826064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.826064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.826064 (E_RNA)
where:
Base-Base interactions energy: -113.946
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.024
local terms energy: -70.856383
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -87.810331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.810331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.810331 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -32.292
Base-Backbone interact. energy: -0.140
local terms energy: -55.377938
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -5.531
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: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -78.400855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.400855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.400855 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -31.806
Base-Backbone interact. energy: -0.164
local terms energy: -42.944100
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -6.967
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: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -79.184124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.184124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.184124 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -22.787
Base-Backbone interact. energy: -1.159
local terms energy: -47.069201
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -73.633885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.633885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.633885 (E_RNA)
where:
Base-Base interactions energy: -31.102
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.211
local terms energy: -42.321124
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: 0.362
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -209.616868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616868 (E_RNA)
where:
Base-Base interactions energy: -126.645
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.005
local terms energy: -82.967366
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -14.139
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -200.028561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.028561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.028561 (E_RNA)
where:
Base-Base interactions energy: -123.130
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.046
local terms energy: -76.851863
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -198.430081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.430081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.430081 (E_RNA)
where:
Base-Base interactions energy: -124.470
where: short stacking energy: -59.058
Base-Backbone interact. energy: 0.036
local terms energy: -73.995607
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -15.107
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: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -188.122262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.122262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.122262 (E_RNA)
where:
Base-Base interactions energy: -111.824
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.029
local terms energy: -76.269172
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -192.927071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.927071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.927071 (E_RNA)
where:
Base-Base interactions energy: -125.114
where: short stacking energy: -55.994
Base-Backbone interact. energy: -1.480
local terms energy: -66.332609
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -148.617914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.617914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.617914 (E_RNA)
where:
Base-Base interactions energy: -89.278
where: short stacking energy: -41.868
Base-Backbone interact. energy: 1.099
local terms energy: -60.439264
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -86.572182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572182 (E_RNA)
where:
Base-Base interactions energy: -36.102
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.051
local terms energy: -50.418597
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -3.967
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: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -96.141064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141064 (E_RNA)
where:
Base-Base interactions energy: -43.169
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.381
local terms energy: -52.591057
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -81.908788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908788 (E_RNA)
where:
Base-Base interactions energy: -32.850
where: short stacking energy: -16.747
Base-Backbone interact. energy: -0.172
local terms energy: -48.886106
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -68.974286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.974286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.974286 (E_RNA)
where:
Base-Base interactions energy: -25.063
where: short stacking energy: -17.406
Base-Backbone interact. energy: -0.255
local terms energy: -43.655703
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -4.033
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: 4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -200.353077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.353077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.353077 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -52.051
Base-Backbone interact. energy: -1.466
local terms energy: -76.568109
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -12.464
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -207.505440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.505440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.505440 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.006
local terms energy: -74.919122
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -194.811512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.811512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.811512 (E_RNA)
where:
Base-Base interactions energy: -122.311
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.425
local terms energy: -72.075056
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -185.201526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.201526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.201526 (E_RNA)
where:
Base-Base interactions energy: -118.889
where: short stacking energy: -55.559
Base-Backbone interact. energy: 0.456
local terms energy: -66.768824
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -17.401
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: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -198.065974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.065974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.065974 (E_RNA)
where:
Base-Base interactions energy: -124.326
where: short stacking energy: -63.632
Base-Backbone interact. energy: -1.019
local terms energy: -72.720937
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -21.672
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -82.520860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.520860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.520860 (E_RNA)
where:
Base-Base interactions energy: -20.031
where: short stacking energy: -19.126
Base-Backbone interact. energy: -0.181
local terms energy: -62.309194
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -79.267358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.267358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.267358 (E_RNA)
where:
Base-Base interactions energy: -24.114
where: short stacking energy: -19.237
Base-Backbone interact. energy: -0.095
local terms energy: -55.058994
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -82.394994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.394994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.394994 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -27.552
Base-Backbone interact. energy: -0.110
local terms energy: -54.733020
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -6.808
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: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -95.933262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.933262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.933262 (E_RNA)
where:
Base-Base interactions energy: -47.845
where: short stacking energy: -22.398
Base-Backbone interact. energy: -1.542
local terms energy: -46.546161
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -67.858604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.858604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.858604 (E_RNA)
where:
Base-Base interactions energy: -18.655
where: short stacking energy: -15.791
Base-Backbone interact. energy: -0.286
local terms energy: -48.917461
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.101
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: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -210.768498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.768498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.768498 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.008
local terms energy: -79.705024
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.337
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -212.974475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.974475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.974475 (E_RNA)
where:
Base-Base interactions energy: -136.324
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.083
local terms energy: -76.566761
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -194.413834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.413834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.413834 (E_RNA)
where:
Base-Base interactions energy: -123.094
where: short stacking energy: -51.781
Base-Backbone interact. energy: 0.192
local terms energy: -71.512141
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -16.144
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: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -183.500937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.500937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.500937 (E_RNA)
where:
Base-Base interactions energy: -119.337
where: short stacking energy: -53.581
Base-Backbone interact. energy: 0.350
local terms energy: -64.514004
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -13.572
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: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -177.800453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.800453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.800453 (E_RNA)
where:
Base-Base interactions energy: -107.752
where: short stacking energy: -46.635
Base-Backbone interact. energy: -0.002
local terms energy: -70.046218
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -114.422981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.422981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.422981 (E_RNA)
where:
Base-Base interactions energy: -67.762
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.215
local terms energy: -46.445568
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: 0.125
tors. eta vs tors. theta energy: -3.274
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: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -81.816809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.816809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.816809 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -25.955
Base-Backbone interact. energy: -1.026
local terms energy: -49.651249
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -5.496
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: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -84.136224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136224 (E_RNA)
where:
Base-Base interactions energy: -32.081
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.110
local terms energy: -51.945361
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -78.572779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572779 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.376
local terms energy: -40.497494
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -3.226
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: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -70.099775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.099775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.099775 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -17.727
Base-Backbone interact. energy: 0.028
local terms energy: -42.856914
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -210.244256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.244256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.244256 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.314
local terms energy: -73.166028
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -19.675
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -210.668916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.668916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.668916 (E_RNA)
where:
Base-Base interactions energy: -131.517
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.410
local terms energy: -78.741941
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -193.985720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.985720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.985720 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.118
local terms energy: -66.092849
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -195.700186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.700186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.700186 (E_RNA)
where:
Base-Base interactions energy: -126.275
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.002
local terms energy: -69.423631
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -7.596
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -190.568195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568195 (E_RNA)
where:
Base-Base interactions energy: -117.960
where: short stacking energy: -52.751
Base-Backbone interact. energy: 1.400
local terms energy: -74.008337
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -93.685854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.685854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.685854 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.206
local terms energy: -55.716946
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -145.667850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.667850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.667850 (E_RNA)
where:
Base-Base interactions energy: -83.502
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.024
local terms energy: -62.141473
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.208
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: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -79.682913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.682913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.682913 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -22.609
Base-Backbone interact. energy: -0.091
local terms energy: -52.039908
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -6.683
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: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -78.853302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.853302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.853302 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.082
local terms energy: -46.971783
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -90.618784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.618784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.618784 (E_RNA)
where:
Base-Base interactions energy: -51.474
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.153
local terms energy: -38.991825
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -6.650
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -2.544
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: 396
Temperature: 0.900000
Total energy: -213.513194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513194 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.069
local terms energy: -68.242257
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -7.864
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: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -198.802524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802524 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.401
local terms energy: -74.001500
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -194.168523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.168523 (E_RNA)
where:
Base-Base interactions energy: -126.280
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.062
local terms energy: -67.826219
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.763
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: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -193.340191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.340191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.340191 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.061
local terms energy: -73.172072
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.313
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: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -184.923780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.923780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.923780 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.075
local terms energy: -65.770264
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -115.225988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.225988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.225988 (E_RNA)
where:
Base-Base interactions energy: -56.778
where: short stacking energy: -50.002
Base-Backbone interact. energy: 0.096
local terms energy: -58.543233
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -87.675784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675784 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -29.852
Base-Backbone interact. energy: 0.082
local terms energy: -57.905213
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -99.676737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.676737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.676737 (E_RNA)
where:
Base-Base interactions energy: -50.305
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.215
local terms energy: -49.156841
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -87.671367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.671367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.671367 (E_RNA)
where:
Base-Base interactions energy: -46.751
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.548
local terms energy: -40.372343
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -72.113916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.113916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.113916 (E_RNA)
where:
Base-Base interactions energy: -22.143
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.080
local terms energy: -49.890484
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -209.699184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699184 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -63.801
Base-Backbone interact. energy: -0.631
local terms energy: -71.109764
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -200.069709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.069709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069709 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.022
local terms energy: -81.530501
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -204.112509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.112509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.112509 (E_RNA)
where:
Base-Base interactions energy: -131.088
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.022
local terms energy: -73.001965
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -18.434
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -192.626830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.626830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.626830 (E_RNA)
where:
Base-Base interactions energy: -121.342
where: short stacking energy: -56.392
Base-Backbone interact. energy: -0.040
local terms energy: -71.244647
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -7.183
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: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -175.090664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.090664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.090664 (E_RNA)
where:
Base-Base interactions energy: -107.370
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.032
local terms energy: -67.688484
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -13.809
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -90.444312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444312 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -30.555
Base-Backbone interact. energy: 1.676
local terms energy: -60.457355
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -107.011954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.011954 (E_RNA)
where:
Base-Base interactions energy: -57.097
where: short stacking energy: -21.307
Base-Backbone interact. energy: -0.497
local terms energy: -49.418568
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -0.451
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -74.813073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.813073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.813073 (E_RNA)
where:
Base-Base interactions energy: -25.583
where: short stacking energy: -24.039
Base-Backbone interact. energy: -0.214
local terms energy: -49.015300
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -2.917
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -102.604986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.604986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.604986 (E_RNA)
where:
Base-Base interactions energy: -47.070
where: short stacking energy: -22.094
Base-Backbone interact. energy: -1.376
local terms energy: -54.158062
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.042
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: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -64.481642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.481642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.481642 (E_RNA)
where:
Base-Base interactions energy: -14.026
where: short stacking energy: -13.837
Base-Backbone interact. energy: 0.921
local terms energy: -51.376688
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.381
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: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -202.202664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.202664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.202664 (E_RNA)
where:
Base-Base interactions energy: -132.486
where: short stacking energy: -62.314
Base-Backbone interact. energy: -0.073
local terms energy: -69.643361
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -188.994300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.994300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.994300 (E_RNA)
where:
Base-Base interactions energy: -119.848
where: short stacking energy: -51.286
Base-Backbone interact. energy: 0.335
local terms energy: -69.481699
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -197.279587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.279587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.279587 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.056
local terms energy: -72.546942
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -199.660214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.660214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.660214 (E_RNA)
where:
Base-Base interactions energy: -128.431
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.067
local terms energy: -71.162069
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -16.530
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -198.348198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.348198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.348198 (E_RNA)
where:
Base-Base interactions energy: -124.020
where: short stacking energy: -55.513
Base-Backbone interact. energy: -0.338
local terms energy: -73.990865
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -89.870660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.870660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.870660 (E_RNA)
where:
Base-Base interactions energy: -34.043
where: short stacking energy: -30.310
Base-Backbone interact. energy: 0.176
local terms energy: -56.003787
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -0.440
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: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -88.737390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.737390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.737390 (E_RNA)
where:
Base-Base interactions energy: -28.517
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.107
local terms energy: -60.113579
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -3.609
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: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -89.976870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.976870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.976870 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -36.610
Base-Backbone interact. energy: 0.367
local terms energy: -53.733583
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.993612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993612 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -25.360
Base-Backbone interact. energy: 0.052
local terms energy: -51.011971
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -74.454207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.454207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.454207 (E_RNA)
where:
Base-Base interactions energy: -26.828
where: short stacking energy: -20.016
Base-Backbone interact. energy: 0.484
local terms energy: -48.110129
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -8.853
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: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -205.429799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.429799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.429799 (E_RNA)
where:
Base-Base interactions energy: -128.020
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.062
local terms energy: -77.347088
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.094
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: 399
Temperature: 0.950000
Total energy: -204.612927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.612927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612927 (E_RNA)
where:
Base-Base interactions energy: -125.517
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.005
local terms energy: -79.091427
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.088
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: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -202.383851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.383851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.383851 (E_RNA)
where:
Base-Base interactions energy: -129.075
where: short stacking energy: -63.696
Base-Backbone interact. energy: -0.092
local terms energy: -73.216991
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -189.303743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.303743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.303743 (E_RNA)
where:
Base-Base interactions energy: -119.390
where: short stacking energy: -54.341
Base-Backbone interact. energy: -0.052
local terms energy: -69.861594
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -5.622
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: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -199.887446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887446 (E_RNA)
where:
Base-Base interactions energy: -128.416
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.358
local terms energy: -71.113105
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -91.214693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214693 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -32.466
Base-Backbone interact. energy: -1.122
local terms energy: -52.697442
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -94.609428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.609428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.609428 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.265
local terms energy: -55.915466
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.024
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: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -81.940259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940259 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -25.328
Base-Backbone interact. energy: 0.498
local terms energy: -45.888986
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -77.458846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458846 (E_RNA)
where:
Base-Base interactions energy: -25.732
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.257
local terms energy: -51.470073
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -4.018
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: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -89.060013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.060013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.060013 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.341
local terms energy: -44.360274
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -207.298488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.298488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.298488 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.233
local terms energy: -74.617628
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.996
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: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -210.412548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412548 (E_RNA)
where:
Base-Base interactions energy: -136.083
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.060
local terms energy: -74.270050
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -201.123905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.123905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.123905 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -62.905
Base-Backbone interact. energy: 0.367
local terms energy: -67.270013
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -192.417297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.417297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417297 (E_RNA)
where:
Base-Base interactions energy: -123.476
where: short stacking energy: -49.557
Base-Backbone interact. energy: 2.703
local terms energy: -71.644860
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -186.386698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.386698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.386698 (E_RNA)
where:
Base-Base interactions energy: -122.903
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.214
local terms energy: -63.269694
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -18.784
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: 400
Temperature: 1.150000
Total energy: -98.886733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.886733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.886733 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.017
local terms energy: -60.571633
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -82.466703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466703 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -28.300
Base-Backbone interact. energy: 0.319
local terms energy: -48.223418
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -9.017
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: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -85.980286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.980286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.980286 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.388
local terms energy: -57.512743
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -76.821108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.821108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.821108 (E_RNA)
where:
Base-Base interactions energy: -22.166
where: short stacking energy: -16.558
Base-Backbone interact. energy: -0.080
local terms energy: -54.575039
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -71.807635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.807635 (E_RNA)
where:
Base-Base interactions energy: -23.639
where: short stacking energy: -23.639
Base-Backbone interact. energy: -1.001
local terms energy: -47.167392
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -215.942294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942294 (E_RNA)
where:
Base-Base interactions energy: -139.720
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.233
local terms energy: -75.988639
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -22.215
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: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -205.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.687852 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.017
local terms energy: -77.515310
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.963
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: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -199.577638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.577638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.577638 (E_RNA)
where:
Base-Base interactions energy: -126.177
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.039
local terms energy: -73.362186
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -192.302322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302322 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.531
local terms energy: -69.627529
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -186.464696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.464696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.464696 (E_RNA)
where:
Base-Base interactions energy: -115.026
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.105
local terms energy: -71.333554
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -13.431
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: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -87.065406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065406 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -25.440
Base-Backbone interact. energy: -0.089
local terms energy: -55.658055
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -126.286972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.286972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.286972 (E_RNA)
where:
Base-Base interactions energy: -69.024
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.035
local terms energy: -57.228421
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -92.945456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945456 (E_RNA)
where:
Base-Base interactions energy: -42.575
where: short stacking energy: -24.819
Base-Backbone interact. energy: -0.138
local terms energy: -50.232743
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -5.756
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: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -74.237647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.237647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.237647 (E_RNA)
where:
Base-Base interactions energy: -28.766
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.887
local terms energy: -44.584577
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -86.834737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.834737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.834737 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.348
local terms energy: -53.035759
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -216.355122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.355122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.355122 (E_RNA)
where:
Base-Base interactions energy: -137.358
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.228
local terms energy: -78.769308
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.431
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: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -213.315116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.315116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.315116 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.043
local terms energy: -77.188045
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -12.269
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -209.754722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.754722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.754722 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.052
local terms energy: -74.894471
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -17.501
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: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -187.133919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.133919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.133919 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.156
local terms energy: -63.102010
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -191.717402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.717402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.717402 (E_RNA)
where:
Base-Base interactions energy: -125.594
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.315
local terms energy: -65.808503
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -80.345976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.345976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.345976 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -35.213
Base-Backbone interact. energy: -0.049
local terms energy: -45.083844
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -131.670461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.670461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.670461 (E_RNA)
where:
Base-Base interactions energy: -67.365
where: short stacking energy: -42.578
Base-Backbone interact. energy: -0.150
local terms energy: -64.154911
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -7.963
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -83.922459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.922459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.922459 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -33.613
Base-Backbone interact. energy: -0.208
local terms energy: -49.448954
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: 1.571
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: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.150692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150692 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.016
local terms energy: -50.778287
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -6.270
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: 402
Temperature: 1.350000
Total energy: -75.703324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.703324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.703324 (E_RNA)
where:
Base-Base interactions energy: -29.326
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.028
local terms energy: -46.349034
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -214.956519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956519 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.047
local terms energy: -73.309769
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -9.390
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: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -202.509120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.509120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.509120 (E_RNA)
where:
Base-Base interactions energy: -136.692
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.714
local terms energy: -65.103659
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -197.537195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.537195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.537195 (E_RNA)
where:
Base-Base interactions energy: -120.997
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.127
local terms energy: -76.413235
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -17.166
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: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -187.939597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.939597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.939597 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.140
local terms energy: -65.166601
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.088
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -201.443302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.443302 (E_RNA)
where:
Base-Base interactions energy: -124.949
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.000
local terms energy: -76.493741
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -18.595
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: 403
Temperature: 1.150000
Total energy: -129.596818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.596818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.596818 (E_RNA)
where:
Base-Base interactions energy: -71.813
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.224
local terms energy: -57.559749
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -83.625410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.625410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.625410 (E_RNA)
where:
Base-Base interactions energy: -33.608
where: short stacking energy: -33.608
Base-Backbone interact. energy: -0.177
local terms energy: -49.840489
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -79.158969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158969 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -32.083
Base-Backbone interact. energy: -1.100
local terms energy: -45.104084
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -74.929310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.929310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.929310 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -21.003
Base-Backbone interact. energy: -0.121
local terms energy: -48.241070
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -68.471901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.471901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.471901 (E_RNA)
where:
Base-Base interactions energy: -18.245
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.211
local terms energy: -50.015909
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: 0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -210.969388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.969388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.969388 (E_RNA)
where:
Base-Base interactions energy: -131.025
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.174
local terms energy: -79.770420
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -207.726238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.726238 (E_RNA)
where:
Base-Base interactions energy: -134.491
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.291
local terms energy: -72.943608
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.041
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -197.527285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527285 (E_RNA)
where:
Base-Base interactions energy: -118.110
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.284
local terms energy: -79.133627
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -190.909060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.909060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.909060 (E_RNA)
where:
Base-Base interactions energy: -120.722
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.203
local terms energy: -69.984044
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -181.376693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.376693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.376693 (E_RNA)
where:
Base-Base interactions energy: -109.611
where: short stacking energy: -47.527
Base-Backbone interact. energy: -0.621
local terms energy: -71.144814
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.505
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: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -136.087042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.087042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.087042 (E_RNA)
where:
Base-Base interactions energy: -86.942
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.186
local terms energy: -48.959301
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -5.153
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -90.418733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.418733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.418733 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.082
local terms energy: -51.608618
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -5.039
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.107500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.107500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.107500 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -24.648
Base-Backbone interact. energy: 1.793
local terms energy: -53.717259
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -6.656
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: 404
Temperature: 1.300000
Total energy: -68.935694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.935694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.935694 (E_RNA)
where:
Base-Base interactions energy: -27.820
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.176
local terms energy: -40.939613
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -71.908674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.908674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.908674 (E_RNA)
where:
Base-Base interactions energy: -24.471
where: short stacking energy: -14.349
Base-Backbone interact. energy: -0.136
local terms energy: -47.300796
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: 2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -210.099840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.099840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.099840 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -66.716
Base-Backbone interact. energy: 0.047
local terms energy: -77.621927
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -21.697
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: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -202.315007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.315007 (E_RNA)
where:
Base-Base interactions energy: -125.239
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.011
local terms energy: -77.065394
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -9.674
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: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -205.791454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.791454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.791454 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.002
local terms energy: -71.737484
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -177.375897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.375897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.375897 (E_RNA)
where:
Base-Base interactions energy: -106.996
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.044
local terms energy: -70.336305
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -194.028545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.028545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.028545 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.100
local terms energy: -72.895647
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.027
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: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -151.655256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655256 (E_RNA)
where:
Base-Base interactions energy: -87.433
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.077
local terms energy: -64.145293
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -92.005629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.005629 (E_RNA)
where:
Base-Base interactions energy: -28.142
where: short stacking energy: -27.522
Base-Backbone interact. energy: -0.107
local terms energy: -63.757300
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.261
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: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -78.134044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.134044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.134044 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.463
local terms energy: -48.984889
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -1.917
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: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -77.025444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025444 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -19.825
Base-Backbone interact. energy: 0.044
local terms energy: -46.319868
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: 3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -78.307847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.307847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.307847 (E_RNA)
where:
Base-Base interactions energy: -37.203
where: short stacking energy: -13.665
Base-Backbone interact. energy: -0.390
local terms energy: -40.715048
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: 3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -203.700112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.700112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.700112 (E_RNA)
where:
Base-Base interactions energy: -121.621
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.480
local terms energy: -81.598832
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -19.732
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: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -207.385448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.385448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.385448 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -57.976
Base-Backbone interact. energy: -0.049
local terms energy: -75.826043
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -192.158002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.158002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.158002 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.025
local terms energy: -70.142646
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -203.606035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.606035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.606035 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.097
local terms energy: -74.373736
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -11.223
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -204.292975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.292975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.292975 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.055
local terms energy: -73.690252
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -145.720666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.720666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.720666 (E_RNA)
where:
Base-Base interactions energy: -85.897
where: short stacking energy: -43.529
Base-Backbone interact. energy: -0.558
local terms energy: -59.265198
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -83.220635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.220635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.220635 (E_RNA)
where:
Base-Base interactions energy: -38.505
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.207
local terms energy: -44.508811
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: 6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -98.839294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839294 (E_RNA)
where:
Base-Base interactions energy: -41.677
where: short stacking energy: -41.677
Base-Backbone interact. energy: -0.017
local terms energy: -57.145201
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.309
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: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -74.906282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.906282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.906282 (E_RNA)
where:
Base-Base interactions energy: -26.231
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.050
local terms energy: -48.625513
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -7.901
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: 406
Temperature: 1.350000
Total energy: -72.354760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.354760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.354760 (E_RNA)
where:
Base-Base interactions energy: -23.152
where: short stacking energy: -23.152
Base-Backbone interact. energy: 0.170
local terms energy: -49.372159
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -7.569
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -214.061760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.061760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.061760 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.030
local terms energy: -79.683670
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -207.739602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739602 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.116
local terms energy: -77.452108
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -197.796766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.796766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.796766 (E_RNA)
where:
Base-Base interactions energy: -124.866
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.011
local terms energy: -72.920341
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -194.709238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.709238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.709238 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.100
local terms energy: -69.237392
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -195.551015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.551015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.551015 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.002
local terms energy: -73.072588
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.492
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: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -149.593630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.593630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.593630 (E_RNA)
where:
Base-Base interactions energy: -92.486
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.199
local terms energy: -56.908553
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -91.778805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.778805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.778805 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.441
local terms energy: -51.638083
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: 1.285
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -74.881398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.881398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.881398 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -21.216
Base-Backbone interact. energy: -0.065
local terms energy: -49.633231
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.877
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: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -69.240688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.240688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.240688 (E_RNA)
where:
Base-Base interactions energy: -17.791
where: short stacking energy: -17.791
Base-Backbone interact. energy: -0.085
local terms energy: -51.364338
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.641580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.641580 (E_RNA)
where:
Base-Base interactions energy: -20.850
where: short stacking energy: -10.751
Base-Backbone interact. energy: -0.533
local terms energy: -57.258779
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -205.718918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718918 (E_RNA)
where:
Base-Base interactions energy: -125.446
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.001
local terms energy: -80.272009
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -18.727
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: 408
Temperature: 0.950000
Total energy: -205.299246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299246 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.055
local terms energy: -73.824211
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.206
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: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -202.362569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362569 (E_RNA)
where:
Base-Base interactions energy: -128.849
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.067
local terms energy: -73.446327
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -187.978202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.978202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.978202 (E_RNA)
where:
Base-Base interactions energy: -121.550
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.026
local terms energy: -66.402213
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -126.514777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.514777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.514777 (E_RNA)
where:
Base-Base interactions energy: -62.770
where: short stacking energy: -39.064
Base-Backbone interact. energy: 0.877
local terms energy: -64.622016
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -188.179945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.179945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.179945 (E_RNA)
where:
Base-Base interactions energy: -117.080
where: short stacking energy: -67.800
Base-Backbone interact. energy: -0.014
local terms energy: -71.085810
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -17.204
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: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -85.564422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564422 (E_RNA)
where:
Base-Base interactions energy: -30.646
where: short stacking energy: -30.646
Base-Backbone interact. energy: 0.193
local terms energy: -55.111731
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -82.101153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.101153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.101153 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -19.389
Base-Backbone interact. energy: -0.531
local terms energy: -47.719889
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -0.494
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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -86.562668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.562668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.562668 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.032
local terms energy: -46.500226
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -72.545155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.545155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.545155 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -22.024
Base-Backbone interact. energy: -0.353
local terms energy: -48.996490
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: 1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -212.064018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.064018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.064018 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -70.516
Base-Backbone interact. energy: -2.218
local terms energy: -80.773609
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -201.718847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.718847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.718847 (E_RNA)
where:
Base-Base interactions energy: -130.095
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.285
local terms energy: -71.338428
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -207.046412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.046412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.046412 (E_RNA)
where:
Base-Base interactions energy: -134.127
where: short stacking energy: -65.061
Base-Backbone interact. energy: -0.025
local terms energy: -72.894452
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -191.001060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.001060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.001060 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.105
local terms energy: -74.128827
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -11.711
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: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -146.548348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.548348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.548348 (E_RNA)
where:
Base-Base interactions energy: -84.584
where: short stacking energy: -42.357
Base-Backbone interact. energy: -0.145
local terms energy: -61.819347
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -109.240584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.240584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.240584 (E_RNA)
where:
Base-Base interactions energy: -58.400
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.123
local terms energy: -50.717653
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -8.162
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -6.992
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: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -86.839057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839057 (E_RNA)
where:
Base-Base interactions energy: -40.738
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.243
local terms energy: -45.857901
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -95.009233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009233 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -29.209
Base-Backbone interact. energy: -0.189
local terms energy: -58.666371
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -2.853
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -76.560889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560889 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -22.403
Base-Backbone interact. energy: 1.554
local terms energy: -50.400177
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -8.788
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: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -72.722194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.722194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.722194 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -27.758
Base-Backbone interact. energy: 2.409
local terms energy: -47.373511
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -206.752567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.752567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.752567 (E_RNA)
where:
Base-Base interactions energy: -132.352
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.019
local terms energy: -74.381273
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -9.983
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: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -203.475183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.475183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.475183 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -70.538
Base-Backbone interact. energy: 1.994
local terms energy: -80.013577
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -209.944962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.944962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.944962 (E_RNA)
where:
Base-Base interactions energy: -129.813
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.000
local terms energy: -80.131470
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.259
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: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -201.345915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.345915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.345915 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -68.034
Base-Backbone interact. energy: 0.465
local terms energy: -77.843913
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -22.567
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: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -149.334791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.334791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.334791 (E_RNA)
where:
Base-Base interactions energy: -90.165
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.016
local terms energy: -59.154276
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -9.494
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: 410
Temperature: 1.150000
Total energy: -101.199135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.199135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.199135 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -29.544
Base-Backbone interact. energy: -0.169
local terms energy: -58.188428
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.390
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: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -82.996967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.996967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.996967 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.160
local terms energy: -47.820757
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -2.010
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -80.796803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796803 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.210
local terms energy: -47.666352
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.831326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.831326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.831326 (E_RNA)
where:
Base-Base interactions energy: -26.392
where: short stacking energy: -22.823
Base-Backbone interact. energy: 0.091
local terms energy: -55.529729
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -0.445
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: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -82.732677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732677 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.196
local terms energy: -44.490814
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -217.502486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.502486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.502486 (E_RNA)
where:
Base-Base interactions energy: -148.943
where: short stacking energy: -65.892
Base-Backbone interact. energy: 0.056
local terms energy: -68.615628
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -4.909
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: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -208.271831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.271831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.271831 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.014
local terms energy: -74.916250
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -14.406
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: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -208.564470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564470 (E_RNA)
where:
Base-Base interactions energy: -130.317
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.200
local terms energy: -78.047085
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -198.264899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.264899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.264899 (E_RNA)
where:
Base-Base interactions energy: -129.449
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.713
local terms energy: -68.102644
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -162.501645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.501645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.501645 (E_RNA)
where:
Base-Base interactions energy: -102.443
where: short stacking energy: -42.010
Base-Backbone interact. energy: 0.317
local terms energy: -60.375912
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.232
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: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -85.885110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885110 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -22.138
Base-Backbone interact. energy: -0.118
local terms energy: -57.846892
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -88.392618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.392618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.392618 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -26.754
Base-Backbone interact. energy: 0.346
local terms energy: -52.957972
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -88.633638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633638 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.060
local terms energy: -57.876496
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -74.579912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.579912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.579912 (E_RNA)
where:
Base-Base interactions energy: -26.126
where: short stacking energy: -25.556
Base-Backbone interact. energy: -0.176
local terms energy: -48.277675
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -65.426852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.426852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.426852 (E_RNA)
where:
Base-Base interactions energy: -25.980
where: short stacking energy: -19.068
Base-Backbone interact. energy: 1.102
local terms energy: -40.548376
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -1.380
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -207.204559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.204559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.204559 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.062
local terms energy: -73.955065
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -208.892468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892468 (E_RNA)
where:
Base-Base interactions energy: -142.791
where: short stacking energy: -65.073
Base-Backbone interact. energy: -0.020
local terms energy: -66.082043
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -21.399
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: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -200.496574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.496574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496574 (E_RNA)
where:
Base-Base interactions energy: -126.640
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.442
local terms energy: -73.414177
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -22.449
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: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -199.584083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.584083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.584083 (E_RNA)
where:
Base-Base interactions energy: -128.774
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.030
local terms energy: -70.780109
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.648
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: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -90.868427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868427 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.126
local terms energy: -56.237657
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -5.112
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: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -143.468460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.468460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.468460 (E_RNA)
where:
Base-Base interactions energy: -82.909
where: short stacking energy: -35.292
Base-Backbone interact. energy: -0.214
local terms energy: -60.346097
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -87.254066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.254066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.254066 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.087
local terms energy: -57.681569
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -74.228697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.228697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.228697 (E_RNA)
where:
Base-Base interactions energy: -24.843
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.087
local terms energy: -49.298912
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.219795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.219795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.219795 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.250
local terms energy: -51.757438
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -4.609
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: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -69.701998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.701998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.701998 (E_RNA)
where:
Base-Base interactions energy: -21.669
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.148
local terms energy: -47.884832
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -215.943816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.943816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.943816 (E_RNA)
where:
Base-Base interactions energy: -133.458
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.679
local terms energy: -81.806295
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -20.328
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: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -201.263122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.263122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.263122 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.112
local terms energy: -71.105039
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.775
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: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -200.032449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.032449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.032449 (E_RNA)
where:
Base-Base interactions energy: -129.826
where: short stacking energy: -62.181
Base-Backbone interact. energy: 1.196
local terms energy: -71.402043
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -191.970116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.970116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.970116 (E_RNA)
where:
Base-Base interactions energy: -115.030
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.057
local terms energy: -76.883013
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -92.569127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.569127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.569127 (E_RNA)
where:
Base-Base interactions energy: -40.660
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.106
local terms energy: -51.802886
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.685
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -149.328770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.328770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.328770 (E_RNA)
where:
Base-Base interactions energy: -82.384
where: short stacking energy: -44.745
Base-Backbone interact. energy: 1.519
local terms energy: -68.462975
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -89.114600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.114600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.114600 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -38.767
Base-Backbone interact. energy: -0.012
local terms energy: -50.334845
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -92.286585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286585 (E_RNA)
where:
Base-Base interactions energy: -47.214
where: short stacking energy: -23.425
Base-Backbone interact. energy: -1.159
local terms energy: -43.913896
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -78.343786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.343786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.343786 (E_RNA)
where:
Base-Base interactions energy: -20.404
where: short stacking energy: -17.709
Base-Backbone interact. energy: -0.006
local terms energy: -57.934027
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -78.932797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.932797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.932797 (E_RNA)
where:
Base-Base interactions energy: -32.083
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.166
local terms energy: -46.683845
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -218.115752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.115752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.115752 (E_RNA)
where:
Base-Base interactions energy: -138.308
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.346
local terms energy: -79.461162
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -198.646039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.646039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.646039 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.029
local terms energy: -73.360734
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -194.727124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.727124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.727124 (E_RNA)
where:
Base-Base interactions energy: -128.447
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.002
local terms energy: -66.278114
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -170.959922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.959922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.959922 (E_RNA)
where:
Base-Base interactions energy: -103.488
where: short stacking energy: -56.846
Base-Backbone interact. energy: -0.079
local terms energy: -67.393184
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -16.532
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: 414
Temperature: 1.100000
Total energy: -149.021405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.021405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.021405 (E_RNA)
where:
Base-Base interactions energy: -93.258
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.006
local terms energy: -55.757367
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -96.478258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.478258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.478258 (E_RNA)
where:
Base-Base interactions energy: -44.465
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.138
local terms energy: -51.874994
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -93.210748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.210748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.210748 (E_RNA)
where:
Base-Base interactions energy: -43.510
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.089
local terms energy: -49.611814
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -85.268594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.268594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.268594 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -19.668
Base-Backbone interact. energy: -0.152
local terms energy: -56.770776
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -9.009
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: 414
Temperature: 1.300000
Total energy: -75.795742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.795742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.795742 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -17.694
Base-Backbone interact. energy: -0.216
local terms energy: -49.131387
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -71.237288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.237288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.237288 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -19.340
Base-Backbone interact. energy: -0.198
local terms energy: -38.076419
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -208.924239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.924239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924239 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.042
local terms energy: -79.680247
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.086
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: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -202.877703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.877703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.877703 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -62.194
Base-Backbone interact. energy: 0.076
local terms energy: -73.342531
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -191.522857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.522857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.522857 (E_RNA)
where:
Base-Base interactions energy: -116.979
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.099
local terms energy: -74.444037
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -13.035
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: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -159.567850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.567850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.567850 (E_RNA)
where:
Base-Base interactions energy: -87.524
where: short stacking energy: -43.013
Base-Backbone interact. energy: -0.450
local terms energy: -71.593502
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.000
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: 415
Temperature: 1.100000
Total energy: -163.747721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.747721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.747721 (E_RNA)
where:
Base-Base interactions energy: -96.999
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.254
local terms energy: -66.494988
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -7.665
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: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -91.193158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193158 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.156
local terms energy: -51.714758
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -4.001
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: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -100.811694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811694 (E_RNA)
where:
Base-Base interactions energy: -54.217
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.166
local terms energy: -46.428846
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -5.031
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: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -69.526176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.526176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.526176 (E_RNA)
where:
Base-Base interactions energy: -27.275
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.189
local terms energy: -42.062701
where:
bonds (distance) C4'-P energy: -6.372
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -7.106
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: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -77.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.474733 (E_RNA)
where:
Base-Base interactions energy: -21.241
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.050
local terms energy: -56.183821
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -66.926500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.926500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.926500 (E_RNA)
where:
Base-Base interactions energy: -27.572
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.151
local terms energy: -39.203661
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -210.689828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.689828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.689828 (E_RNA)
where:
Base-Base interactions energy: -133.837
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.063
local terms energy: -76.789945
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -207.208656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.208656 (E_RNA)
where:
Base-Base interactions energy: -132.425
where: short stacking energy: -67.718
Base-Backbone interact. energy: -0.079
local terms energy: -74.704144
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -207.131965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.131965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.131965 (E_RNA)
where:
Base-Base interactions energy: -134.831
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.002
local terms energy: -72.299552
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -160.380063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.380063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.380063 (E_RNA)
where:
Base-Base interactions energy: -92.608
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.595
local terms energy: -67.176372
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -9.983
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -167.887271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.887271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.887271 (E_RNA)
where:
Base-Base interactions energy: -98.372
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.157
local terms energy: -69.358807
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.428
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: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -83.017122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017122 (E_RNA)
where:
Base-Base interactions energy: -25.245
where: short stacking energy: -21.965
Base-Backbone interact. energy: -2.046
local terms energy: -55.726853
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -95.343433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343433 (E_RNA)
where:
Base-Base interactions energy: -42.419
where: short stacking energy: -42.419
Base-Backbone interact. energy: -0.059
local terms energy: -52.865528
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -11.575
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: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -81.085551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085551 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.157
local terms energy: -51.681186
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -77.580837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.580837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.580837 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -23.819
Base-Backbone interact. energy: 1.324
local terms energy: -54.215115
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -12.661
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: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -73.814063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.814063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.814063 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.026
local terms energy: -40.739113
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -1.867
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: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -214.281700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.281700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.281700 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.019
local terms energy: -75.494475
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -206.603494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.603494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.603494 (E_RNA)
where:
Base-Base interactions energy: -129.515
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.827
local terms energy: -76.262136
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -11.136
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: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -198.944960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.944960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.944960 (E_RNA)
where:
Base-Base interactions energy: -126.360
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.070
local terms energy: -72.515266
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -162.211469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.211469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.211469 (E_RNA)
where:
Base-Base interactions energy: -95.693
where: short stacking energy: -49.700
Base-Backbone interact. energy: -0.219
local terms energy: -66.299537
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -182.931980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.931980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.931980 (E_RNA)
where:
Base-Base interactions energy: -120.733
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.054
local terms energy: -62.144262
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -120.514867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.514867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.514867 (E_RNA)
where:
Base-Base interactions energy: -57.427
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.107
local terms energy: -62.980702
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -8.595
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: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -89.361748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.361748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.361748 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.383
local terms energy: -52.762080
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -74.651051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.651051 (E_RNA)
where:
Base-Base interactions energy: -24.124
where: short stacking energy: -24.124
Base-Backbone interact. energy: -0.193
local terms energy: -50.334045
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -75.654319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654319 (E_RNA)
where:
Base-Base interactions energy: -21.037
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.052
local terms energy: -54.565547
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -6.911
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.981025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.981025 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -17.664
Base-Backbone interact. energy: -0.128
local terms energy: -49.431216
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -213.537275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.537275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.537275 (E_RNA)
where:
Base-Base interactions energy: -133.542
where: short stacking energy: -63.976
Base-Backbone interact. energy: -0.795
local terms energy: -79.200103
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -216.754750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.754750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.754750 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -65.762
Base-Backbone interact. energy: -0.899
local terms energy: -83.469575
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -160.599394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.599394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.599394 (E_RNA)
where:
Base-Base interactions energy: -92.988
where: short stacking energy: -46.907
Base-Backbone interact. energy: -0.241
local terms energy: -67.369681
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -202.019542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019542 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.015
local terms energy: -72.351892
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -114.600812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.600812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.600812 (E_RNA)
where:
Base-Base interactions energy: -65.593
where: short stacking energy: -46.967
Base-Backbone interact. energy: 1.486
local terms energy: -50.494192
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -4.448
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: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -188.168310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.168310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.168310 (E_RNA)
where:
Base-Base interactions energy: -112.058
where: short stacking energy: -54.257
Base-Backbone interact. energy: -0.161
local terms energy: -75.949278
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -19.456
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: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -91.446772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.446772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.446772 (E_RNA)
where:
Base-Base interactions energy: -38.668
where: short stacking energy: -21.025
Base-Backbone interact. energy: -0.324
local terms energy: -52.455599
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -0.939
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: 418
Temperature: 1.250000
Total energy: -82.255213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.255213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.255213 (E_RNA)
where:
Base-Base interactions energy: -21.404
where: short stacking energy: -21.404
Base-Backbone interact. energy: -0.103
local terms energy: -60.749146
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -88.436400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436400 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.348
local terms energy: -41.861772
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -8.476
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -80.169002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169002 (E_RNA)
where:
Base-Base interactions energy: -21.631
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.324
local terms energy: -58.214181
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -217.856240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.856240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.856240 (E_RNA)
where:
Base-Base interactions energy: -138.737
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.000
local terms energy: -79.119056
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -197.651670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.651670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.651670 (E_RNA)
where:
Base-Base interactions energy: -127.925
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.031
local terms energy: -69.696194
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -7.684
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: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -162.881385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.881385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.881385 (E_RNA)
where:
Base-Base interactions energy: -87.654
where: short stacking energy: -54.542
Base-Backbone interact. energy: -0.113
local terms energy: -75.114003
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -14.516
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: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -197.008805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.008805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.008805 (E_RNA)
where:
Base-Base interactions energy: -117.703
where: short stacking energy: -55.178
Base-Backbone interact. energy: 1.800
local terms energy: -81.105606
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -97.247048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.247048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.247048 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -38.808
Base-Backbone interact. energy: 0.551
local terms energy: -56.381540
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -3.426
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: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -169.985958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.985958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.985958 (E_RNA)
where:
Base-Base interactions energy: -107.105
where: short stacking energy: -44.575
Base-Backbone interact. energy: -0.203
local terms energy: -62.678150
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -7.804
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: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -82.986880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.986880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.986880 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -21.933
Base-Backbone interact. energy: -0.094
local terms energy: -53.458881
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -80.695204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695204 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -25.666
Base-Backbone interact. energy: -0.127
local terms energy: -44.721538
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -81.231986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231986 (E_RNA)
where:
Base-Base interactions energy: -32.792
where: short stacking energy: -15.745
Base-Backbone interact. energy: 0.840
local terms energy: -49.279678
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -3.962
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: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.024430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.024430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.024430 (E_RNA)
where:
Base-Base interactions energy: -39.458
where: short stacking energy: -17.114
Base-Backbone interact. energy: -0.360
local terms energy: -40.207255
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: 4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -213.796822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.796822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.796822 (E_RNA)
where:
Base-Base interactions energy: -143.793
where: short stacking energy: -66.017
Base-Backbone interact. energy: -1.129
local terms energy: -68.874044
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -8.899
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: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -202.338288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.338288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338288 (E_RNA)
where:
Base-Base interactions energy: -125.350
where: short stacking energy: -60.173
Base-Backbone interact. energy: -0.113
local terms energy: -76.875488
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -200.102284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102284 (E_RNA)
where:
Base-Base interactions energy: -127.535
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.002
local terms energy: -72.565384
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -148.131244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.131244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.131244 (E_RNA)
where:
Base-Base interactions energy: -88.506
where: short stacking energy: -49.957
Base-Backbone interact. energy: -0.057
local terms energy: -59.568112
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -184.990640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990640 (E_RNA)
where:
Base-Base interactions energy: -115.655
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.020
local terms energy: -69.316061
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -93.056380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.056380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.056380 (E_RNA)
where:
Base-Base interactions energy: -46.358
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.566
local terms energy: -46.132550
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -91.109141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109141 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -33.035
Base-Backbone interact. energy: 2.115
local terms energy: -54.286569
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -7.544
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -86.696574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.696574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.696574 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -21.601
Base-Backbone interact. energy: -1.235
local terms energy: -48.922592
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 1.367
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -88.199746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199746 (E_RNA)
where:
Base-Base interactions energy: -32.311
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.083
local terms energy: -55.805461
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -7.989
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: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -71.420374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.420374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.420374 (E_RNA)
where:
Base-Base interactions energy: -21.698
where: short stacking energy: -17.508
Base-Backbone interact. energy: -0.337
local terms energy: -49.385467
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: 2.274
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: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -213.591485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.591485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.591485 (E_RNA)
where:
Base-Base interactions energy: -133.518
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.068
local terms energy: -80.004787
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -22.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -199.279842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.279842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.279842 (E_RNA)
where:
Base-Base interactions energy: -125.206
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.771
local terms energy: -73.303145
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -9.916
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -206.581614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.581614 (E_RNA)
where:
Base-Base interactions energy: -130.754
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.031
local terms energy: -75.796536
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.376
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: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -193.727781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.727781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.727781 (E_RNA)
where:
Base-Base interactions energy: -116.016
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.004
local terms energy: -77.707724
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -12.884
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: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -154.326809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.326809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.326809 (E_RNA)
where:
Base-Base interactions energy: -91.837
where: short stacking energy: -47.662
Base-Backbone interact. energy: -0.208
local terms energy: -62.281669
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -103.294122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.294122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.294122 (E_RNA)
where:
Base-Base interactions energy: -50.880
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.263
local terms energy: -52.151366
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -93.077502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.077502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.077502 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -20.563
Base-Backbone interact. energy: -0.319
local terms energy: -60.358494
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -80.277071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.277071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.277071 (E_RNA)
where:
Base-Base interactions energy: -24.918
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.058
local terms energy: -55.301084
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -76.450655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.450655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.450655 (E_RNA)
where:
Base-Base interactions energy: -26.937
where: short stacking energy: -15.729
Base-Backbone interact. energy: -0.319
local terms energy: -49.194162
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.161
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: 421
Temperature: 1.350000
Total energy: -74.383806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.383806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.383806 (E_RNA)
where:
Base-Base interactions energy: -21.311
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.481
local terms energy: -52.591967
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -207.388570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.388570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.388570 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.002
local terms energy: -68.013887
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -5.546
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -207.992116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.992116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.992116 (E_RNA)
where:
Base-Base interactions energy: -137.762
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.389
local terms energy: -69.841260
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -195.592761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.592761 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.017
local terms energy: -65.514797
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -200.615021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615021 (E_RNA)
where:
Base-Base interactions energy: -129.532
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.018
local terms energy: -71.064772
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.259
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: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -159.212080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.212080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.212080 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.274
local terms energy: -61.270291
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -11.975
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -87.208674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.208674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.208674 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -20.694
Base-Backbone interact. energy: -0.130
local terms energy: -48.634034
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -0.215
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: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -106.739623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.739623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.739623 (E_RNA)
where:
Base-Base interactions energy: -62.900
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.321
local terms energy: -43.518317
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -2.800
flat angles C4'-P-C4' energy: -7.844
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -81.257427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.257427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.257427 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -27.192
Base-Backbone interact. energy: -1.221
local terms energy: -47.473808
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -73.763046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.763046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.763046 (E_RNA)
where:
Base-Base interactions energy: -23.122
where: short stacking energy: -19.060
Base-Backbone interact. energy: -0.109
local terms energy: -50.531286
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -2.039
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: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -74.669595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.669595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.669595 (E_RNA)
where:
Base-Base interactions energy: -21.399
where: short stacking energy: -19.195
Base-Backbone interact. energy: -0.132
local terms energy: -53.139447
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -3.260
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: 423
Temperature: 0.900000
Total energy: -211.892323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.892323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.892323 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.136
local terms energy: -68.937654
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -207.646309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.646309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.646309 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.278
local terms energy: -71.454362
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -195.051941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.051941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.051941 (E_RNA)
where:
Base-Base interactions energy: -118.695
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.307
local terms energy: -76.050227
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -200.643892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.643892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.643892 (E_RNA)
where:
Base-Base interactions energy: -123.095
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.031
local terms energy: -77.517590
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -20.830
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: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -152.648294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.648294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.648294 (E_RNA)
where:
Base-Base interactions energy: -88.378
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.236
local terms energy: -64.033751
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -8.085
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -86.451270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451270 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.299
local terms energy: -49.447888
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -1.014
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: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -79.890154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.890154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.890154 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.059
local terms energy: -46.805335
where:
bonds (distance) C4'-P energy: -7.864
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -139.202993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.202993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.202993 (E_RNA)
where:
Base-Base interactions energy: -82.272
where: short stacking energy: -41.169
Base-Backbone interact. energy: 0.623
local terms energy: -57.553970
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -75.043942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.043942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.043942 (E_RNA)
where:
Base-Base interactions energy: -25.495
where: short stacking energy: -18.604
Base-Backbone interact. energy: -1.131
local terms energy: -48.418010
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -73.543393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.543393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.543393 (E_RNA)
where:
Base-Base interactions energy: -17.151
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.085
local terms energy: -56.308012
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -207.280094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.280094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.280094 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -64.306
Base-Backbone interact. energy: 0.552
local terms energy: -76.030710
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -21.841
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: 424
Temperature: 0.950000
Total energy: -201.184252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.184252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.184252 (E_RNA)
where:
Base-Base interactions energy: -127.935
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.295
local terms energy: -72.953793
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.450
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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -204.684485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684485 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.568
local terms energy: -68.798955
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -19.563
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: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -187.590112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.590112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.590112 (E_RNA)
where:
Base-Base interactions energy: -115.607
where: short stacking energy: -50.260
Base-Backbone interact. energy: -0.237
local terms energy: -71.746088
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.899
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -154.202612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.202612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.202612 (E_RNA)
where:
Base-Base interactions energy: -92.518
where: short stacking energy: -39.292
Base-Backbone interact. energy: 0.794
local terms energy: -62.478346
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -91.733348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.733348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.733348 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.021
local terms energy: -57.422603
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -139.947680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.947680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.947680 (E_RNA)
where:
Base-Base interactions energy: -85.179
where: short stacking energy: -46.569
Base-Backbone interact. energy: -0.199
local terms energy: -54.569078
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -1.833
tors. eta vs tors. theta energy: -9.622
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -79.416455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416455 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.110
local terms energy: -46.362981
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.785703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785703 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -28.401
Base-Backbone interact. energy: 0.104
local terms energy: -53.032060
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -80.471401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471401 (E_RNA)
where:
Base-Base interactions energy: -38.217
where: short stacking energy: -21.456
Base-Backbone interact. energy: 0.630
local terms energy: -42.884178
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: 1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -218.393086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.393086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393086 (E_RNA)
where:
Base-Base interactions energy: -141.134
where: short stacking energy: -68.689
Base-Backbone interact. energy: -1.011
local terms energy: -76.248508
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -209.016905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.016905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.016905 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.081
local terms energy: -78.000701
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -190.279020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.279020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.279020 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -55.659
Base-Backbone interact. energy: 1.192
local terms energy: -73.304263
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -193.320940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.320940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.320940 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.007
local terms energy: -70.028407
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -152.352227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.352227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.352227 (E_RNA)
where:
Base-Base interactions energy: -84.665
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.512
local terms energy: -67.174886
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.781
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: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -134.197661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.197661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.197661 (E_RNA)
where:
Base-Base interactions energy: -77.494
where: short stacking energy: -40.260
Base-Backbone interact. energy: -0.032
local terms energy: -56.672114
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -6.338
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -86.833486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833486 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.122
local terms energy: -48.946377
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -79.008991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.008991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.008991 (E_RNA)
where:
Base-Base interactions energy: -26.420
where: short stacking energy: -22.975
Base-Backbone interact. energy: -0.211
local terms energy: -52.378105
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -71.721973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.721973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.721973 (E_RNA)
where:
Base-Base interactions energy: -28.403
where: short stacking energy: -15.885
Base-Backbone interact. energy: -1.407
local terms energy: -41.912088
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: 3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -69.761533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.761533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.761533 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.074
local terms energy: -39.235469
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -215.340371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.340371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.340371 (E_RNA)
where:
Base-Base interactions energy: -138.139
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.097
local terms energy: -77.103603
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -196.462656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.462656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.462656 (E_RNA)
where:
Base-Base interactions energy: -131.497
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.089
local terms energy: -64.876049
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -13.850
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -189.113761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.113761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.113761 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.001
local terms energy: -69.365729
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -15.249
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -196.711836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.711836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.711836 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.157
local terms energy: -71.176900
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -16.326
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: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -153.410271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.410271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.410271 (E_RNA)
where:
Base-Base interactions energy: -89.784
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.033
local terms energy: -63.593434
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -10.544
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: 426
Temperature: 1.150000
Total energy: -138.783698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.783698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.783698 (E_RNA)
where:
Base-Base interactions energy: -77.425
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.242
local terms energy: -61.117142
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -88.841880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.841880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.841880 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -26.141
Base-Backbone interact. energy: -1.546
local terms energy: -51.309895
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -76.769779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.769779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.769779 (E_RNA)
where:
Base-Base interactions energy: -23.526
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.176
local terms energy: -53.067279
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -73.974866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.974866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.974866 (E_RNA)
where:
Base-Base interactions energy: -17.503
where: short stacking energy: -17.343
Base-Backbone interact. energy: -0.097
local terms energy: -56.374204
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.829
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: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -79.801087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801087 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.451
local terms energy: -50.495182
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -203.388214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.388214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.388214 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.727
local terms energy: -74.043980
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -17.397
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: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -198.058103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.058103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.058103 (E_RNA)
where:
Base-Base interactions energy: -126.244
where: short stacking energy: -53.348
Base-Backbone interact. energy: -0.056
local terms energy: -71.757596
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -18.670
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: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -196.444746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.444746 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.064
local terms energy: -70.799420
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -7.902
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: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -186.414327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.414327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.414327 (E_RNA)
where:
Base-Base interactions energy: -115.277
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.892
local terms energy: -70.244500
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.164
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -164.687253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.687253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.687253 (E_RNA)
where:
Base-Base interactions energy: -95.981
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.061
local terms energy: -68.644801
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -134.740713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.740713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.740713 (E_RNA)
where:
Base-Base interactions energy: -67.729
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.169
local terms energy: -66.842429
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -12.381
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: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -100.282516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.282516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.282516 (E_RNA)
where:
Base-Base interactions energy: -34.599
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.125
local terms energy: -65.558764
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -8.869
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -81.337188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.337188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.337188 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -14.392
Base-Backbone interact. energy: 0.519
local terms energy: -53.769412
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -75.910959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.910959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.910959 (E_RNA)
where:
Base-Base interactions energy: -25.537
where: short stacking energy: -23.913
Base-Backbone interact. energy: -0.216
local terms energy: -50.157718
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: 0.021
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: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -75.965067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.965067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.965067 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -30.183
Base-Backbone interact. energy: -0.028
local terms energy: -43.740643
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -5.723
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: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -211.388422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388422 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -67.923
Base-Backbone interact. energy: 1.347
local terms energy: -75.034545
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -206.583463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583463 (E_RNA)
where:
Base-Base interactions energy: -134.904
where: short stacking energy: -67.219
Base-Backbone interact. energy: 1.659
local terms energy: -73.338558
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -23.538
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: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -194.898607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.898607 (E_RNA)
where:
Base-Base interactions energy: -124.665
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.156
local terms energy: -70.077250
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -186.983577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.983577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.983577 (E_RNA)
where:
Base-Base interactions energy: -119.546
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.133
local terms energy: -67.303636
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.217
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: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -176.553180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553180 (E_RNA)
where:
Base-Base interactions energy: -111.781
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.046
local terms energy: -64.725790
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -7.718
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -128.460151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.460151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.460151 (E_RNA)
where:
Base-Base interactions energy: -71.103
where: short stacking energy: -40.257
Base-Backbone interact. energy: -0.095
local terms energy: -57.261176
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -99.124672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.124672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.124672 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.020
local terms energy: -52.975857
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -99.916284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.916284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.916284 (E_RNA)
where:
Base-Base interactions energy: -52.314
where: short stacking energy: -25.904
Base-Backbone interact. energy: 0.400
local terms energy: -48.002667
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -6.198
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: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -72.979056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.979056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.979056 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -16.371
Base-Backbone interact. energy: -1.049
local terms energy: -43.250808
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -71.302125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.302125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.302125 (E_RNA)
where:
Base-Base interactions energy: -22.750
where: short stacking energy: -14.518
Base-Backbone interact. energy: -0.152
local terms energy: -48.399540
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -10.199
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -209.315081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.315081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.315081 (E_RNA)
where:
Base-Base interactions energy: -128.519
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.001
local terms energy: -80.795797
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -200.765056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.765056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.765056 (E_RNA)
where:
Base-Base interactions energy: -131.411
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.004
local terms energy: -69.350649
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -19.401
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: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -188.630791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.630791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.630791 (E_RNA)
where:
Base-Base interactions energy: -124.687
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.074
local terms energy: -63.869655
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -173.915382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.915382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.915382 (E_RNA)
where:
Base-Base interactions energy: -107.433
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.158
local terms energy: -66.323745
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -182.330453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.330453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.330453 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.015
local terms energy: -66.384404
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -149.127258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.127258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.127258 (E_RNA)
where:
Base-Base interactions energy: -88.666
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.132
local terms energy: -60.329153
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -7.287
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: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -92.676257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676257 (E_RNA)
where:
Base-Base interactions energy: -36.418
where: short stacking energy: -36.418
Base-Backbone interact. energy: -0.110
local terms energy: -56.148420
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -95.615940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615940 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -21.570
Base-Backbone interact. energy: -0.187
local terms energy: -48.852478
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.809451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809451 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.239
local terms energy: -54.870956
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.907
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -78.276964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.276964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.276964 (E_RNA)
where:
Base-Base interactions energy: -20.769
where: short stacking energy: -20.769
Base-Backbone interact. energy: -0.166
local terms energy: -57.342200
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -202.722791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722791 (E_RNA)
where:
Base-Base interactions energy: -124.900
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.226
local terms energy: -77.596153
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -214.968611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.968611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.968611 (E_RNA)
where:
Base-Base interactions energy: -142.076
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.152
local terms energy: -72.739800
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -6.228
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: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -195.825000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.825000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.825000 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.160
local terms energy: -74.894903
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -183.042486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.042486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.042486 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.209
local terms energy: -60.652016
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -183.172528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.172528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.172528 (E_RNA)
where:
Base-Base interactions energy: -111.014
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.124
local terms energy: -72.033993
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -147.632740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.632740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.632740 (E_RNA)
where:
Base-Base interactions energy: -78.285
where: short stacking energy: -38.604
Base-Backbone interact. energy: -0.086
local terms energy: -69.262012
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -11.303
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: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -113.264853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.264853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.264853 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -24.460
Base-Backbone interact. energy: -0.113
local terms energy: -56.691290
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -80.471462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471462 (E_RNA)
where:
Base-Base interactions energy: -25.276
where: short stacking energy: -18.849
Base-Backbone interact. energy: -0.700
local terms energy: -54.495519
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -2.174
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: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -80.752981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752981 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.714
local terms energy: -47.511256
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -77.543232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.543232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.543232 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -25.132
Base-Backbone interact. energy: -0.587
local terms energy: -45.458240
where:
bonds (distance) C4'-P energy: -6.794
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -8.745
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: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -213.108041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.108041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.108041 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.062
local terms energy: -78.072437
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -17.073
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -210.268018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268018 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.003
local terms energy: -73.138841
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -200.199635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.199635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.199635 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -54.686
Base-Backbone interact. energy: -0.005
local terms energy: -74.201298
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -196.856083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856083 (E_RNA)
where:
Base-Base interactions energy: -138.217
where: short stacking energy: -56.491
Base-Backbone interact. energy: -0.790
local terms energy: -57.849468
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -160.089649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.089649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.089649 (E_RNA)
where:
Base-Base interactions energy: -101.859
where: short stacking energy: -56.367
Base-Backbone interact. energy: -0.146
local terms energy: -58.083783
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -113.743984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.743984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.743984 (E_RNA)
where:
Base-Base interactions energy: -52.206
where: short stacking energy: -36.736
Base-Backbone interact. energy: -0.290
local terms energy: -61.248320
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -136.547900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.547900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.547900 (E_RNA)
where:
Base-Base interactions energy: -75.359
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.003
local terms energy: -61.185882
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.049
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: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -76.376015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.376015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.376015 (E_RNA)
where:
Base-Base interactions energy: -20.039
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.828
local terms energy: -55.508691
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -71.187436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.187436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.187436 (E_RNA)
where:
Base-Base interactions energy: -25.907
where: short stacking energy: -17.243
Base-Backbone interact. energy: -0.655
local terms energy: -44.624884
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -8.517
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: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -71.950724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.950724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.950724 (E_RNA)
where:
Base-Base interactions energy: -20.637
where: short stacking energy: -19.954
Base-Backbone interact. energy: -0.195
local terms energy: -51.118480
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -216.437431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.437431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.437431 (E_RNA)
where:
Base-Base interactions energy: -136.639
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.589
local terms energy: -79.209823
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -8.975
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -207.950397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.950397 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.159
local terms energy: -64.685749
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -7.713
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: 432
Temperature: 1.000000
Total energy: -192.241211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.241211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.241211 (E_RNA)
where:
Base-Base interactions energy: -122.442
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.022
local terms energy: -69.777172
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -192.781506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.781506 (E_RNA)
where:
Base-Base interactions energy: -125.134
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.827
local terms energy: -66.821022
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -167.880321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.880321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.880321 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -43.613
Base-Backbone interact. energy: -0.225
local terms energy: -70.954073
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -11.938
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: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -142.914805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.914805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.914805 (E_RNA)
where:
Base-Base interactions energy: -84.392
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.190
local terms energy: -58.332126
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -8.097
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: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -112.993880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.993880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.993880 (E_RNA)
where:
Base-Base interactions energy: -59.546
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.250
local terms energy: -53.197645
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -94.144573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144573 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -24.403
Base-Backbone interact. energy: 1.094
local terms energy: -58.929169
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.300
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: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -67.201750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.201750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.201750 (E_RNA)
where:
Base-Base interactions energy: -23.502
where: short stacking energy: -23.502
Base-Backbone interact. energy: -0.088
local terms energy: -43.611752
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -78.009305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.009305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.009305 (E_RNA)
where:
Base-Base interactions energy: -27.894
where: short stacking energy: -21.777
Base-Backbone interact. energy: -0.219
local terms energy: -49.896698
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: 0.277
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: 433
Temperature: 0.900000
Total energy: -210.467704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.467704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.467704 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.266
local terms energy: -76.151356
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -206.078648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078648 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.239
local terms energy: -74.914381
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.848
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: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -192.138538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.138538 (E_RNA)
where:
Base-Base interactions energy: -125.619
where: short stacking energy: -54.780
Base-Backbone interact. energy: 0.493
local terms energy: -67.011881
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -198.580120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.580120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.580120 (E_RNA)
where:
Base-Base interactions energy: -125.288
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.041
local terms energy: -73.251387
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -180.806753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.806753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.806753 (E_RNA)
where:
Base-Base interactions energy: -109.715
where: short stacking energy: -51.414
Base-Backbone interact. energy: 0.348
local terms energy: -71.439887
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -19.513
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: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -91.851635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.851635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.851635 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.121
local terms energy: -58.832411
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -6.736
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -84.789153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789153 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -19.421
Base-Backbone interact. energy: 0.964
local terms energy: -52.153181
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -87.904657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904657 (E_RNA)
where:
Base-Base interactions energy: -28.122
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.168
local terms energy: -59.615482
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -75.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438271 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.077
local terms energy: -51.667423
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -6.457
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: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -73.742190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.742190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.742190 (E_RNA)
where:
Base-Base interactions energy: -26.446
where: short stacking energy: -19.483
Base-Backbone interact. energy: -0.190
local terms energy: -47.106440
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: 0.514
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: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -208.282852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.282852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.282852 (E_RNA)
where:
Base-Base interactions energy: -134.556
where: short stacking energy: -53.339
Base-Backbone interact. energy: -1.135
local terms energy: -72.591822
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -209.915621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915621 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.620
local terms energy: -73.984514
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.141
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: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -198.221575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.221575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.221575 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.011
local terms energy: -66.795026
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -197.972208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972208 (E_RNA)
where:
Base-Base interactions energy: -122.707
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.023
local terms energy: -75.242015
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -19.530
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: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -173.635205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.635205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635205 (E_RNA)
where:
Base-Base interactions energy: -116.503
where: short stacking energy: -58.180
Base-Backbone interact. energy: 1.468
local terms energy: -58.600366
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -11.611
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: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -98.199641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199641 (E_RNA)
where:
Base-Base interactions energy: -31.879
where: short stacking energy: -31.209
Base-Backbone interact. energy: -0.237
local terms energy: -66.084194
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -98.217361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.217361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.217361 (E_RNA)
where:
Base-Base interactions energy: -41.107
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.006
local terms energy: -57.104789
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -7.064
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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -77.862047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.862047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.862047 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -20.216
Base-Backbone interact. energy: 0.920
local terms energy: -49.564421
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -87.045108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.045108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.045108 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -27.312
Base-Backbone interact. energy: -1.642
local terms energy: -44.109523
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.589
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: 434
Temperature: 1.350000
Total energy: -73.427598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.427598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.427598 (E_RNA)
where:
Base-Base interactions energy: -36.686
where: short stacking energy: -19.723
Base-Backbone interact. energy: -0.245
local terms energy: -36.496110
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: 1.494
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: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -211.049383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.049383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.049383 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.379
local terms energy: -65.473877
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -206.755832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.755832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.755832 (E_RNA)
where:
Base-Base interactions energy: -120.270
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.007
local terms energy: -86.479203
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -190.669493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.669493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.669493 (E_RNA)
where:
Base-Base interactions energy: -118.698
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.029
local terms energy: -71.942443
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -213.187007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187007 (E_RNA)
where:
Base-Base interactions energy: -133.067
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.015
local terms energy: -80.105369
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -179.812742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.812742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.812742 (E_RNA)
where:
Base-Base interactions energy: -104.502
where: short stacking energy: -53.812
Base-Backbone interact. energy: -0.022
local terms energy: -75.287999
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -15.475
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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -92.942006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.942006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.942006 (E_RNA)
where:
Base-Base interactions energy: -37.166
where: short stacking energy: -37.166
Base-Backbone interact. energy: -0.060
local terms energy: -55.716078
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -8.294
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: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -86.074245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.074245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.074245 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.690
local terms energy: -52.982620
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -76.032981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.032981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.032981 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.214
local terms energy: -42.719300
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -77.181092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.181092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.181092 (E_RNA)
where:
Base-Base interactions energy: -27.122
where: short stacking energy: -24.269
Base-Backbone interact. energy: 0.981
local terms energy: -51.040141
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -82.800590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.800590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.800590 (E_RNA)
where:
Base-Base interactions energy: -27.521
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.114
local terms energy: -55.165516
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -218.657357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.657357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.657357 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.393
local terms energy: -66.667497
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -13.485
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -203.239420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.239420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.239420 (E_RNA)
where:
Base-Base interactions energy: -122.299
where: short stacking energy: -59.657
Base-Backbone interact. energy: 0.391
local terms energy: -81.330854
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -191.868931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.868931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.868931 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.014
local terms energy: -69.277262
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -185.857975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.857975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.857975 (E_RNA)
where:
Base-Base interactions energy: -116.576
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.413
local terms energy: -68.868939
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -7.289
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: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -199.194118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194118 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.067
local terms energy: -77.438936
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -84.509878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509878 (E_RNA)
where:
Base-Base interactions energy: -33.904
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.060
local terms energy: -50.545977
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -2.175
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: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -88.408293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408293 (E_RNA)
where:
Base-Base interactions energy: -47.508
where: short stacking energy: -32.474
Base-Backbone interact. energy: -0.045
local terms energy: -40.855446
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -0.773
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -79.693086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693086 (E_RNA)
where:
Base-Base interactions energy: -22.830
where: short stacking energy: -13.859
Base-Backbone interact. energy: 0.461
local terms energy: -57.324472
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -84.176845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.176845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.176845 (E_RNA)
where:
Base-Base interactions energy: -28.916
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.037
local terms energy: -55.223294
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -78.511986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511986 (E_RNA)
where:
Base-Base interactions energy: -26.496
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.123
local terms energy: -51.892935
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -226.314680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.314680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.314680 (E_RNA)
where:
Base-Base interactions energy: -154.427
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.241
local terms energy: -71.646634
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -202.321203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.321203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.321203 (E_RNA)
where:
Base-Base interactions energy: -120.392
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.133
local terms energy: -81.796186
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.427
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: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -202.156056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156056 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.606
local terms energy: -69.570898
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -203.698881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.698881 (E_RNA)
where:
Base-Base interactions energy: -131.230
where: short stacking energy: -63.033
Base-Backbone interact. energy: -0.072
local terms energy: -72.396208
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.288
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: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -207.269491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.269491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.269491 (E_RNA)
where:
Base-Base interactions energy: -136.182
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.261
local terms energy: -70.825998
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -103.943257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.943257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.943257 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -38.165
Base-Backbone interact. energy: 0.755
local terms energy: -62.551659
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -11.169
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: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -94.213822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213822 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.299
local terms energy: -52.705417
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -97.790511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.790511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.790511 (E_RNA)
where:
Base-Base interactions energy: -49.694
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.187
local terms energy: -47.909620
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -77.801393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.801393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.801393 (E_RNA)
where:
Base-Base interactions energy: -24.507
where: short stacking energy: -22.779
Base-Backbone interact. energy: 0.028
local terms energy: -53.322906
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -69.397977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.397977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.397977 (E_RNA)
where:
Base-Base interactions energy: -16.969
where: short stacking energy: -16.969
Base-Backbone interact. energy: -0.128
local terms energy: -52.301613
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.051
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: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -227.553283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.553283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.553283 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.256
local terms energy: -68.483216
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -15.646
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: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -205.871783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871783 (E_RNA)
where:
Base-Base interactions energy: -134.937
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.030
local terms energy: -70.905377
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -198.323129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.323129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.323129 (E_RNA)
where:
Base-Base interactions energy: -122.842
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.909
local terms energy: -74.571498
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -198.162942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162942 (E_RNA)
where:
Base-Base interactions energy: -126.207
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.332
local terms energy: -71.623663
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.341
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: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -195.161797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.161797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.161797 (E_RNA)
where:
Base-Base interactions energy: -121.390
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.184
local terms energy: -73.587731
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -20.286
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: 438
Temperature: 1.150000
Total energy: -91.321037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.321037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.321037 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.336
local terms energy: -54.840375
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -96.963686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.963686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.963686 (E_RNA)
where:
Base-Base interactions energy: -50.118
where: short stacking energy: -23.371
Base-Backbone interact. energy: -0.215
local terms energy: -46.630243
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: 2.466
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -88.122231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122231 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.101
local terms energy: -56.892861
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -6.279
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -78.056973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056973 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -24.109
Base-Backbone interact. energy: -0.318
local terms energy: -47.063923
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -1.916
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: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -76.619598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619598 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -17.835
Base-Backbone interact. energy: -1.059
local terms energy: -44.588841
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: 3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/ABC-e69e0426_01
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -225.354753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.354753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.354753 (E_RNA)
where:
Base-Base interactions energy: -150.905
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.513
local terms energy: -73.936157
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.222
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: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -194.558233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.558233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.558233 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.910
local terms energy: -68.099292
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -205.689282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.689282 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -52.631
Base-Backbone interact. energy: -0.050
local terms energy: -74.659022
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -8.461
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: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -199.005781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.005781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.005781 (E_RNA)
where:
Base-Base interactions energy: -123.526
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.885
local terms energy: -74.594492
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -11.786
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: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -193.631586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.631586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.631586 (E_RNA)
where:
Base-Base interactions energy: -119.591
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.037
local terms energy: -74.004126
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -84.357769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.357769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.357769 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -16.839
Base-Backbone interact. energy: -0.342
local terms energy: -46.892278
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: 3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -86.830799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.830799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.830799 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -30.653
Base-Backbone interact. energy: -0.251
local terms energy: -48.232834
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -90.283036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283036 (E_RNA)
where:
Base-Base interactions energy: -28.394
where: short stacking energy: -21.394
Base-Backbone interact. energy: -0.178
local terms energy: -61.711187
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -72.565864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.565864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.565864 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -16.562
Base-Backbone interact. energy: -0.320
local terms energy: -47.622489
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -64.304824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.304824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.304824 (E_RNA)
where:
Base-Base interactions energy: -10.646
where: short stacking energy: -7.917
Base-Backbone interact. energy: -0.302
local terms energy: -53.357502
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE